4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C20H23N7O — CID 70900267

IUPAC4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2c(c1NC1CCN(c3ccc(C#N)cn3)CC1)CCN2
InChIInChI=1S/C20H23N7O/c1-22-20(28)16-12-25-19-15(4-7-23-19)18(16)26-14-5-8-27(9-6-14)17-3-2-13(10-21)11-24-17/h2-3,11-12,14H,4-9H2,1H3,(H,22,28)(H2,23,25,26)
InChIKeyDAAUYJWBZKFDOS-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.76
Rot. Bonds4

About 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 70900267) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID70900267
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2c(c1NC1CCN(c3ccc(C#N)cn3)CC1)CCN2
InChIInChI=1S/C20H23N7O/c1-22-20(28)16-12-25-19-15(4-7-23-19)18(16)26-14-5-8-27(9-6-14)17-3-2-13(10-21)11-24-17/h2-3,11-12,14H,4-9H2,1H3,(H,22,28)(H2,23,25,26)
InChIKeyDAAUYJWBZKFDOS-UHFFFAOYSA-N
XLogP1.76
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide
CID 123295215
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 70900267) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2c(c1NC1CCN(c3ccc(C#N)cn3)CC1)CCN2.
What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is DAAUYJWBZKFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-22-20(28)16-12-25-19-15(4-7-23-19)18(16)26-14-5-8-27(9-6-14)17-3-2-13(10-21)11-24-17/h2-3,11-12,14H,4-9H2,1H3,(H,22,28)(H2,23,25,26).
What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 70900267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).