6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid

C26H29N5O3 — CID 91392726

IUPAC6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)CN(C(=O)c1ccc(N2CCN(c3ccc(C(=O)O)cn3)CC2)nc1)c1ccccc1
InChIInChI=1S/C26H29N5O3/c1-19(2)18-31(22-6-4-3-5-7-22)25(32)20-8-10-23(27-16-20)29-12-14-30(15-13-29)24-11-9-21(17-28-24)26(33)34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,33,34)
InChIKeyCAWDDXBYXBFAOV-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.80
Rot. Bonds7

About 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 91392726) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID91392726
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)CN(C(=O)c1ccc(N2CCN(c3ccc(C(=O)O)cn3)CC2)nc1)c1ccccc1
InChIInChI=1S/C26H29N5O3/c1-19(2)18-31(22-6-4-3-5-7-22)25(32)20-8-10-23(27-16-20)29-12-14-30(15-13-29)24-11-9-21(17-28-24)26(33)34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,33,34)
InChIKeyCAWDDXBYXBFAOV-UHFFFAOYSA-N
XLogP3.80
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-Ethyl-13-(hydroxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470716
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
4-Carboxy nevirapine
CID 10709035
2-Ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-13-carboxylic acid
CID 470715
Aurora A inhibitor-9
CID 134140427
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
6-(Phenylamino)nicotinic acid
CID 2771812
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
2-{4-[4-(4,4-Dimethyl-2,6-dioxo-piperidin-1-yl)-butyl]-piperazin-1-yl}-nicotinic acid methyl ester
CID 13771043
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574
Pyridin-3-ylmethyl 5-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-diaza-bicyclo[2.2.2]octane-2-carboxylate
CID 44433631

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 91392726) is 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid is CC(C)CN(C(=O)c1ccc(N2CCN(c3ccc(C(=O)O)cn3)CC2)nc1)c1ccccc1.
What is the InChIKey of 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CAWDDXBYXBFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-19(2)18-31(22-6-4-3-5-7-22)25(32)20-8-10-23(27-16-20)29-12-14-30(15-13-29)24-11-9-21(17-28-24)26(33)34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,33,34).
What are the key properties of 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 459.55 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[2-methylpropyl(phenyl)carbamoyl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 91392726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).