N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C22H25N5O2 — CID 154865979

IUPACN-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNC(=O)c3c[nH]c4cccnc34)c2)C1
InChIInChI=1S/C22H25N5O2/c23-21(28)17-6-3-9-27(14-17)13-16-5-1-4-15(10-16)11-26-22(29)18-12-25-19-7-2-8-24-20(18)19/h1-2,4-5,7-8,10,12,17,25H,3,6,9,11,13-14H2,(H2,23,28)(H,26,29)
InChIKeyVILJXDXIUMKFOJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.19
Rot. Bonds6

About N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 154865979) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID154865979
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNC(=O)c3c[nH]c4cccnc34)c2)C1
InChIInChI=1S/C22H25N5O2/c23-21(28)17-6-3-9-27(14-17)13-16-5-1-4-15(10-16)11-26-22(29)18-12-25-19-7-2-8-24-20(18)19/h1-2,4-5,7-8,10,12,17,25H,3,6,9,11,13-14H2,(H2,23,28)(H,26,29)
InChIKeyVILJXDXIUMKFOJ-UHFFFAOYSA-N
XLogP2.19
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 154836332
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CID 119126186
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
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CID 119877009
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111758842
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008
1-[[3-[[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 120636131
1-[[3-[[(4-methylsulfanylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900668
1-[[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 154865979) is N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is NC(=O)C1CCCN(Cc2cccc(CNC(=O)c3c[nH]c4cccnc34)c2)C1.
What is the InChIKey of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is VILJXDXIUMKFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-21(28)17-6-3-9-27(14-17)13-16-5-1-4-15(10-16)11-26-22(29)18-12-25-19-7-2-8-24-20(18)19/h1-2,4-5,7-8,10,12,17,25H,3,6,9,11,13-14H2,(H2,23,28)(H,26,29).
What are the key properties of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 154865979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).