2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid

C17H15N3O4 — CID 167935918

IUPAC2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(NC(=O)C2CC2C(=O)O)cn1)c1ccccc1
InChIInChI=1S/C17H15N3O4/c21-15(10-4-2-1-3-5-10)20-14-7-6-11(9-18-14)19-16(22)12-8-13(12)17(23)24/h1-7,9,12-13H,8H2,(H,19,22)(H,23,24)(H,18,20,21)
InChIKeyPAFBBKSJFYRNHY-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.99
Rot. Bonds5

About 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 167935918) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID167935918
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(NC(=O)C2CC2C(=O)O)cn1)c1ccccc1
InChIInChI=1S/C17H15N3O4/c21-15(10-4-2-1-3-5-10)20-14-7-6-11(9-18-14)19-16(22)12-8-13(12)17(23)24/h1-7,9,12-13H,8H2,(H,19,22)(H,23,24)(H,18,20,21)
InChIKeyPAFBBKSJFYRNHY-UHFFFAOYSA-N
XLogP1.99
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(6-benzamido-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119893876
N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide
CID 124883118
N-(6-benzamido-3-pyridinyl)piperidine-4-carboxamide
CID 119893870
N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide
CID 119893878
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
4-[(2-methylcyclopropanecarbonyl)amino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 71896742
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
N-(6-benzamido-3-pyridinyl)-5-ethyl-1-methylpyrazole-4-carboxamide
CID 75373577
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238

Frequently Asked Questions

What is the IUPAC name of 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 167935918) is 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(NC(=O)C2CC2C(=O)O)cn1)c1ccccc1.
What is the InChIKey of 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PAFBBKSJFYRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-15(10-4-2-1-3-5-10)20-14-7-6-11(9-18-14)19-16(22)12-8-13(12)17(23)24/h1-7,9,12-13H,8H2,(H,19,22)(H,23,24)(H,18,20,21).
What are the key properties of 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167935918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).