N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide

C14H13N5O — CID 170187936

IUPACN-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide
SMILESN#Cc1cc2cnc(NC=O)cc2c(N2CCCC2)n1
InChIInChI=1S/C14H13N5O/c15-7-11-5-10-8-16-13(17-9-20)6-12(10)14(18-11)19-3-1-2-4-19/h5-6,8-9H,1-4H2,(H,16,17,20)
InChIKeyRMGVJTXSPHNHSH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.67
Rot. Bonds3

About N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide

N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide (PubChem CID 170187936) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide.

Molecular Properties

Compound NameN-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide
PubChem CID170187936
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide
SMILESN#Cc1cc2cnc(NC=O)cc2c(N2CCCC2)n1
InChIInChI=1S/C14H13N5O/c15-7-11-5-10-8-16-13(17-9-20)6-12(10)14(18-11)19-3-1-2-4-19/h5-6,8-9H,1-4H2,(H,16,17,20)
InChIKeyRMGVJTXSPHNHSH-UHFFFAOYSA-N
XLogP1.67
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-pyrrolidin-1-ylisoquinoline-3-carbonitrile
CID 141110344
N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide
CID 129270815
2-methyl-N-(5-piperidin-1-yl-7-propan-2-yl-2,6-naphthyridin-3-yl)propanamide
CID 170188115
N-(5-cyano-2-pyridinyl)formamide
CID 64992105
7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
CID 172601278
2-piperidin-1-yl-1,6-naphthyridine-7-carbonitrile
CID 156819085
N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide
CID 139506256
1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile
CID 172600902
1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932275
7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
CID 168932064
1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932347
1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932072

Frequently Asked Questions

What is the IUPAC name of N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide?
The IUPAC name of N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide (CID 170187936) is N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide.
What is the SMILES notation for N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide?
The canonical SMILES for N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide is N#Cc1cc2cnc(NC=O)cc2c(N2CCCC2)n1.
What is the InChIKey of N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide?
The InChIKey is RMGVJTXSPHNHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-7-11-5-10-8-16-13(17-9-20)6-12(10)14(18-11)19-3-1-2-4-19/h5-6,8-9H,1-4H2,(H,16,17,20).
What are the key properties of N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide?
N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide has a molecular weight of 267.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide is sourced from PubChem (CID 170187936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).