5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid

C21H16N4O3 — CID 45377841

IUPAC5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid
SMILESO=C(NCc1ccncc1)c1cc(-c2ccc3[nH]c(C(=O)O)cc3c2)ccn1
InChIInChI=1S/C21H16N4O3/c26-20(24-12-13-3-6-22-7-4-13)18-10-15(5-8-23-18)14-1-2-17-16(9-14)11-19(25-17)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)
InChIKeySJCVIFOMQDAVPH-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.25
Rot. Bonds5

About 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid

5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid (PubChem CID 45377841) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid
PubChem CID45377841
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid
SMILESO=C(NCc1ccncc1)c1cc(-c2ccc3[nH]c(C(=O)O)cc3c2)ccn1
InChIInChI=1S/C21H16N4O3/c26-20(24-12-13-3-6-22-7-4-13)18-10-15(5-8-23-18)14-1-2-17-16(9-14)11-19(25-17)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)
InChIKeySJCVIFOMQDAVPH-UHFFFAOYSA-N
XLogP3.25
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide
CID 45377996
ethyl 5-[2-[(4-phenylmethoxycarbonylphenyl)methylcarbamoyl]-4-pyridinyl]-1H-indole-2-carboxylate
CID 66989065
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
CID 58506035
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135887221
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
4-[[[1-methyl-5-(2-pyrimidin-4-yl-1H-indol-5-yl)pyrazole-3-carbonyl]amino]methyl]benzoic acid
CID 86766582
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
CID 2826173
5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid
CID 175663738
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110257631

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid (CID 45377841) is 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid is O=C(NCc1ccncc1)c1cc(-c2ccc3[nH]c(C(=O)O)cc3c2)ccn1.
What is the InChIKey of 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid?
The InChIKey is SJCVIFOMQDAVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(24-12-13-3-6-22-7-4-13)18-10-15(5-8-23-18)14-1-2-17-16(9-14)11-19(25-17)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28).
What are the key properties of 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid?
5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 45377841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).