6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide

C50H58N10O4 — CID 143495714

IUPAC6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCN(Cc3ccnc(-c4ccc5ncc(C(=O)NC6CCN(C(=O)C7CCN(Cc8ccncc8)CC7)CC6)cc5c4)c3)CC2)CC1)c1ccncc1
InChIInChI=1S/C50H58N10O4/c61-47(37-6-18-52-19-7-37)55-43-12-25-59(26-13-43)50(64)39-10-23-58(24-11-39)34-36-5-20-53-46(29-36)40-1-2-45-41(30-40)31-42(32-54-45)48(62)56-44-14-27-60(28-15-44)49(63)38-8-21-57(22-9-38)33-35-3-16-51-17-4-35/h1-7,16-20,29-32,38-39,43-44H,8-15,21-28,33-34H2,(H,55,61)(H,56,62)
InChIKeyPSFIUJIPTLJKQC-UHFFFAOYSA-N
MW863.08 g/mol
LogP5.35
Rot. Bonds11

About 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide

6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 143495714) has the molecular formula C50H58N10O4 and a molecular weight of 863.08 g/mol. Its IUPAC name is 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide
PubChem CID143495714
Molecular FormulaC50H58N10O4
Molecular Weight863.08 g/mol
Exact Mass862.46
IUPAC Name6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCN(Cc3ccnc(-c4ccc5ncc(C(=O)NC6CCN(C(=O)C7CCN(Cc8ccncc8)CC7)CC6)cc5c4)c3)CC2)CC1)c1ccncc1
InChIInChI=1S/C50H58N10O4/c61-47(37-6-18-52-19-7-37)55-43-12-25-59(26-13-43)50(64)39-10-23-58(24-11-39)34-36-5-20-53-46(29-36)40-1-2-45-41(30-40)31-42(32-54-45)48(62)56-44-14-27-60(28-15-44)49(63)38-8-21-57(22-9-38)33-35-3-16-51-17-4-35/h1-7,16-20,29-32,38-39,43-44H,8-15,21-28,33-34H2,(H,55,61)(H,56,62)
InChIKeyPSFIUJIPTLJKQC-UHFFFAOYSA-N
XLogP5.35
TPSA156.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide with MolForge

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Related Compounds

2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46454126
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 161046033
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide (CID 143495714) is 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide is O=C(NC1CCN(C(=O)C2CCN(Cc3ccnc(-c4ccc5ncc(C(=O)NC6CCN(C(=O)C7CCN(Cc8ccncc8)CC7)CC6)cc5c4)c3)CC2)CC1)c1ccncc1.
What is the InChIKey of 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is PSFIUJIPTLJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58N10O4/c61-47(37-6-18-52-19-7-37)55-43-12-25-59(26-13-43)50(64)39-10-23-58(24-11-39)34-36-5-20-53-46(29-36)40-1-2-45-41(30-40)31-42(32-54-45)48(62)56-44-14-27-60(28-15-44)49(63)38-8-21-57(22-9-38)33-35-3-16-51-17-4-35/h1-7,16-20,29-32,38-39,43-44H,8-15,21-28,33-34H2,(H,55,61)(H,56,62).
What are the key properties of 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide?
6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 863.08 g/mol, XLogP of 5.35, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 143495714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).