5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid

C14H17N3O4 — CID 63154255

IUPAC5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H17N3O4/c1-8-4-11(8)13(19)16-3-2-12(18)17-10-5-9(14(20)21)6-15-7-10/h5-8,11H,2-4H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHOICOHUIACKTDB-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.88
Rot. Bonds6

About 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid

5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid (PubChem CID 63154255) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
PubChem CID63154255
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H17N3O4/c1-8-4-11(8)13(19)16-3-2-12(18)17-10-5-9(14(20)21)6-15-7-10/h5-8,11H,2-4H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHOICOHUIACKTDB-UHFFFAOYSA-N
XLogP0.88
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide
CID 94391607
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid
CID 60657199
trans-(1R,2R)-N-[3-(3-chloro-4-imidazol-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95278022
4-methyl-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]thiophene-2-carboxylic acid
CID 114915014
3-methyl-5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60868642
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid (CID 63154255) is 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid is CC1CC1C(=O)NCCC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid?
The InChIKey is HOICOHUIACKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-4-11(8)13(19)16-3-2-12(18)17-10-5-9(14(20)21)6-15-7-10/h5-8,11H,2-4H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid?
5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).