4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid

C15H19ClN2O4 — CID 120537180

IUPAC4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1cnc(OCC2CC2)c(Cl)c1)CC(=O)O
InChIInChI=1S/C15H19ClN2O4/c1-9(4-13(19)20)6-17-14(21)11-5-12(16)15(18-7-11)22-8-10-2-3-10/h5,7,9-10H,2-4,6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyDCIAOEXEZRMUKQ-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.36
Rot. Bonds8

About 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid

4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 120537180) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid
PubChem CID120537180
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1cnc(OCC2CC2)c(Cl)c1)CC(=O)O
InChIInChI=1S/C15H19ClN2O4/c1-9(4-13(19)20)6-17-14(21)11-5-12(16)15(18-7-11)22-8-10-2-3-10/h5,7,9-10H,2-4,6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyDCIAOEXEZRMUKQ-UHFFFAOYSA-N
XLogP2.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120701921
2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527118
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55879759
4-[(3,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 81065212
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
4-benzamido-3-methylbutanoic acid
CID 81064617
N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291329
5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 78904618
5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107412465

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid (CID 120537180) is 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid is CC(CNC(=O)c1cnc(OCC2CC2)c(Cl)c1)CC(=O)O.
What is the InChIKey of 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is DCIAOEXEZRMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-9(4-13(19)20)6-17-14(21)11-5-12(16)15(18-7-11)22-8-10-2-3-10/h5,7,9-10H,2-4,6,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid?
4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 326.78 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 120537180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).