2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid

C14H14N4O3 — CID 45377880

IUPAC2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESNCCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
InChIKeyRTGDPYNAIULBPL-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.53
Rot. Bonds5

About 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid

2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 45377880) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID45377880
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESNCCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
InChIKeyRTGDPYNAIULBPL-UHFFFAOYSA-N
XLogP0.53
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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6-Phenylnicotinic acid
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2,2'-Bipyridine-4-Carboxylic Acid
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4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
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4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
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3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
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3-Methyl-4-[(pyridin-4-ylmethyl)-amino]-benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 45377880) is 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid is NCCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is RTGDPYNAIULBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 45377880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).