5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid

C20H18N4O3 — CID 59208494

IUPAC5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2ccccc2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C20H18N4O3/c1-2-22-20(27)24-18-9-16(13-6-4-3-5-7-13)17(12-23-18)14-8-15(19(25)26)11-21-10-14/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
InChIKeyHGBUEIWFNDRSBG-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.65
Rot. Bonds5

About 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid

5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 59208494) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID59208494
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2ccccc2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C20H18N4O3/c1-2-22-20(27)24-18-9-16(13-6-4-3-5-7-13)17(12-23-18)14-8-15(19(25)26)11-21-10-14/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
InChIKeyHGBUEIWFNDRSBG-UHFFFAOYSA-N
XLogP3.65
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyridin-2-yl)carbamoyl]benzoic acid
CID 671082
Aurora A inhibitor-9
CID 134140427
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
2-{[2-(Butylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647246
4-[4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)benzoic acid
CID 16222940
N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994
6-(Propylamino)nicotinic acid
CID 28399946
6-(Butylamino)pyridine-3-carboxylic acid
CID 28400380
N-benzyl-6-[3-[[4-(hydroxymethyl)benzoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 57748318

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid (CID 59208494) is 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1cc(-c2ccccc2)c(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is HGBUEIWFNDRSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-2-22-20(27)24-18-9-16(13-6-4-3-5-7-13)17(12-23-18)14-8-15(19(25)26)11-21-10-14/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,24,27).
What are the key properties of 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid?
5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59208494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).