4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile

C10H13N3 — CID 55262869

IUPAC4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
SMILESCCC[C@@H](N)c1ccncc1C#N
InChIInChI=1S/C10H13N3/c1-2-3-10(12)9-4-5-13-7-8(9)6-11/h4-5,7,10H,2-3,12H2,1H3/t10-/m1/s1
InChIKeyFMNSOVXPWGPOBM-SNVBAGLBSA-N
MW175.24 g/mol
LogP1.75
Rot. Bonds3

About 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile

4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile (PubChem CID 55262869) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
PubChem CID55262869
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
SMILESCCC[C@@H](N)c1ccncc1C#N
InChIInChI=1S/C10H13N3/c1-2-3-10(12)9-4-5-13-7-8(9)6-11/h4-5,7,10H,2-3,12H2,1H3/t10-/m1/s1
InChIKeyFMNSOVXPWGPOBM-SNVBAGLBSA-N
XLogP1.75
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-fluoroethyl)pyridine-3-carbonitrile
CID 91089599
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
3-[(1R)-1-aminobutyl]-2-methylbenzonitrile
CID 130606694
3-[(1R)-1-aminobutyl]-2-hydroxybenzonitrile
CID 55262996
butane;ethane;4-methylpyridine-3-carbonitrile
CID 171848081
2-(3-cyano-4-pyridinyl)propylboronic acid
CID 143564527
(1S)-1-(3-ethynyl-4-pyridinyl)ethane-1,2-diamine
CID 74891556
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
4-octylpyridine-3-carbonitrile
CID 102497290
5-[(1R)-1-aminobutyl]-2-chlorobenzonitrile
CID 131106150

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile (CID 55262869) is 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile is CCC[C@@H](N)c1ccncc1C#N.
What is the InChIKey of 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile?
The InChIKey is FMNSOVXPWGPOBM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-3-10(12)9-4-5-13-7-8(9)6-11/h4-5,7,10H,2-3,12H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile?
4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile is sourced from PubChem (CID 55262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).