6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid

C14H21N3O3 — CID 65289477

IUPAC6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-9(14(19)20)4-3-5-10(2)17-11-6-7-16-12(8-11)13(15)18/h6-10H,3-5H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyIKYHDULGUDMGLD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds8

About 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid

6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid (PubChem CID 65289477) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
PubChem CID65289477
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-9(14(19)20)4-3-5-10(2)17-11-6-7-16-12(8-11)13(15)18/h6-10H,3-5H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyIKYHDULGUDMGLD-UHFFFAOYSA-N
XLogP1.87
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
CID 54968476
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
2-methyl-6-[(4-nitro-2-pyridinyl)amino]heptanoic acid
CID 65289526

Frequently Asked Questions

What is the IUPAC name of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid (CID 65289477) is 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
The InChIKey is IKYHDULGUDMGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(14(19)20)4-3-5-10(2)17-11-6-7-16-12(8-11)13(15)18/h6-10H,3-5H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65289477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).