5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile

C16H17N5 — CID 103468392

IUPAC5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(N3CCCC3)cc2)c(N)c1
InChIInChI=1S/C16H17N5/c17-10-12-9-15(18)16(19-11-12)20-13-3-5-14(6-4-13)21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,18H2,(H,19,20)
InChIKeyWYIMADDNSDPOFG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.88
Rot. Bonds3

About 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile

5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile (PubChem CID 103468392) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile
PubChem CID103468392
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(N3CCCC3)cc2)c(N)c1
InChIInChI=1S/C16H17N5/c17-10-12-9-15(18)16(19-11-12)20-13-3-5-14(6-4-13)21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,18H2,(H,19,20)
InChIKeyWYIMADDNSDPOFG-UHFFFAOYSA-N
XLogP2.88
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
CID 79917986
5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 18509743
6-pyrrolidin-1-ylquinoline-3-carbonitrile
CID 105480696
3-bromo-4-(4-pyrrolidin-1-ylanilino)benzonitrile
CID 82785652
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
4-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866957
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
2-[[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112866933
5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
CID 103468867

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile (CID 103468392) is 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile is N#Cc1cnc(Nc2ccc(N3CCCC3)cc2)c(N)c1.
What is the InChIKey of 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile?
The InChIKey is WYIMADDNSDPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-10-12-9-15(18)16(19-11-12)20-13-3-5-14(6-4-13)21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,18H2,(H,19,20).
What are the key properties of 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile?
5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).