2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid

C12H12ClN3O2 — CID 107056300

IUPAC2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
SMILESN#Cc1ccnc(N(CC(=O)O)CC2CC2)c1Cl
InChIInChI=1S/C12H12ClN3O2/c13-11-9(5-14)3-4-15-12(11)16(7-10(17)18)6-8-1-2-8/h3-4,8H,1-2,6-7H2,(H,17,18)
InChIKeyCMHLKFVQLAOFJI-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.91
Rot. Bonds5

About 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid

2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 107056300) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID107056300
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
SMILESN#Cc1ccnc(N(CC(=O)O)CC2CC2)c1Cl
InChIInChI=1S/C12H12ClN3O2/c13-11-9(5-14)3-4-15-12(11)16(7-10(17)18)6-8-1-2-8/h3-4,8H,1-2,6-7H2,(H,17,18)
InChIKeyCMHLKFVQLAOFJI-UHFFFAOYSA-N
XLogP1.91
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
2-[(3-chloro-4-cyano-2-pyridinyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 107056304
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
CID 82813472
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
2-[4-cyano-N-(cyclopropylmethyl)-3-methylanilino]acetic acid
CID 81274415
2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
CID 64831223
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
CID 43656331
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid (CID 107056300) is 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid is N#Cc1ccnc(N(CC(=O)O)CC2CC2)c1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is CMHLKFVQLAOFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-11-9(5-14)3-4-15-12(11)16(7-10(17)18)6-8-1-2-8/h3-4,8H,1-2,6-7H2,(H,17,18).
What are the key properties of 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 265.70 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 107056300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).