2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid

C14H19N3O3 — CID 104741907

IUPAC2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
SMILESNc1cccnc1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H19N3O3/c15-10-7-4-8-16-12(10)13(18)17-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6,15H2,(H,17,18)(H,19,20)
InChIKeyNUQCZDFMNZNYJO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid

2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid (PubChem CID 104741907) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
PubChem CID104741907
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
SMILESNc1cccnc1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H19N3O3/c15-10-7-4-8-16-12(10)13(18)17-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6,15H2,(H,17,18)(H,19,20)
InChIKeyNUQCZDFMNZNYJO-UHFFFAOYSA-N
XLogP1.43
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926
3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 113447809
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 166313126
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid
CID 69349381
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid (CID 104741907) is 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid is Nc1cccnc1C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid?
The InChIKey is NUQCZDFMNZNYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-10-7-4-8-16-12(10)13(18)17-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6,15H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid?
2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 104741907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).