2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile

C13H15N5 — CID 95980039

IUPAC2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1nn(C)cc1[C@H](C)Nc1ncccc1C#N
InChIInChI=1S/C13H15N5/c1-9(12-8-18(3)17-10(12)2)16-13-11(7-14)5-4-6-15-13/h4-6,8-9H,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyWEBSATYHIRZGFH-VIFPVBQESA-N
MW241.30 g/mol
LogP2.17
Rot. Bonds3

About 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile

2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 95980039) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID95980039
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1nn(C)cc1[C@H](C)Nc1ncccc1C#N
InChIInChI=1S/C13H15N5/c1-9(12-8-18(3)17-10(12)2)16-13-11(7-14)5-4-6-15-13/h4-6,8-9H,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyWEBSATYHIRZGFH-VIFPVBQESA-N
XLogP2.17
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65191967
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910
2-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethylamino]pyridine-3-carbonitrile
CID 42956123
2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile
CID 38744969
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
3-bromo-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65192078
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile (CID 95980039) is 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile is Cc1nn(C)cc1[C@H](C)Nc1ncccc1C#N.
What is the InChIKey of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is WEBSATYHIRZGFH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N5/c1-9(12-8-18(3)17-10(12)2)16-13-11(7-14)5-4-6-15-13/h4-6,8-9H,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile?
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 95980039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).