N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide

C26H26N6O2 — CID 118646914

IUPACN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccc3ccc(-c4cccnc4)cc3n2)CC(N)C1O
InChIInChI=1S/C26H26N6O2/c1-16-14-32(15-20(27)25(16)33)24-8-10-29-13-23(24)31-26(34)21-7-6-17-4-5-18(11-22(17)30-21)19-3-2-9-28-12-19/h2-13,16,20,25,33H,14-15,27H2,1H3,(H,31,34)
InChIKeyBARKQSCMIFEDQR-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide

N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide (PubChem CID 118646914) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide
PubChem CID118646914
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccc3ccc(-c4cccnc4)cc3n2)CC(N)C1O
InChIInChI=1S/C26H26N6O2/c1-16-14-32(15-20(27)25(16)33)24-8-10-29-13-23(24)31-26(34)21-7-6-17-4-5-18(11-22(17)30-21)19-3-2-9-28-12-19/h2-13,16,20,25,33H,14-15,27H2,1H3,(H,31,34)
InChIKeyBARKQSCMIFEDQR-UHFFFAOYSA-N
XLogP3.09
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide?
The IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide (CID 118646914) is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide.
What is the SMILES notation for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide?
The canonical SMILES for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide is CC1CN(c2ccncc2NC(=O)c2ccc3ccc(-c4cccnc4)cc3n2)CC(N)C1O.
What is the InChIKey of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide?
The InChIKey is BARKQSCMIFEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16-14-32(15-20(27)25(16)33)24-8-10-29-13-23(24)31-26(34)21-7-6-17-4-5-18(11-22(17)30-21)19-3-2-9-28-12-19/h2-13,16,20,25,33H,14-15,27H2,1H3,(H,31,34).
What are the key properties of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide?
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide is sourced from PubChem (CID 118646914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).