2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile

C14H19ClN4 — CID 107061374

IUPAC2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC(CN)C2CCCCC2)c1Cl
InChIInChI=1S/C14H19ClN4/c15-13-11(8-16)6-7-18-14(13)19-12(9-17)10-4-2-1-3-5-10/h6-7,10,12H,1-5,9,17H2,(H,18,19)
InChIKeyISXXELSJTPXEDN-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile

2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile (PubChem CID 107061374) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
PubChem CID107061374
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC(CN)C2CCCCC2)c1Cl
InChIInChI=1S/C14H19ClN4/c15-13-11(8-16)6-7-18-14(13)19-12(9-17)10-4-2-1-3-5-10/h6-7,10,12H,1-5,9,17H2,(H,18,19)
InChIKeyISXXELSJTPXEDN-UHFFFAOYSA-N
XLogP2.93
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
2-[(2-amino-1-cyclohexylethyl)amino]-3-methylbenzonitrile
CID 107111485
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile
CID 65193804
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
CID 103582869
3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 107057999

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile (CID 107061374) is 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(NC(CN)C2CCCCC2)c1Cl.
What is the InChIKey of 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile?
The InChIKey is ISXXELSJTPXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c15-13-11(8-16)6-7-18-14(13)19-12(9-17)10-4-2-1-3-5-10/h6-7,10,12H,1-5,9,17H2,(H,18,19).
What are the key properties of 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile?
2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile has a molecular weight of 278.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).