5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

C24H27N7O3 — CID 143297900

IUPAC5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESCc1ccc(O)cc1C(=O)Nc1cnc(Nc2ccc(C(=O)NCCN3CCCC3)nc2)nc1
InChIInChI=1S/C24H27N7O3/c1-16-4-6-19(32)12-20(16)22(33)29-18-14-27-24(28-15-18)30-17-5-7-21(26-13-17)23(34)25-8-11-31-9-2-3-10-31/h4-7,12-15,32H,2-3,8-11H2,1H3,(H,25,34)(H,29,33)(H,27,28,30)
InChIKeyJDJHXAQWTJSTQE-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.71
Rot. Bonds8

About 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 143297900) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID143297900
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESCc1ccc(O)cc1C(=O)Nc1cnc(Nc2ccc(C(=O)NCCN3CCCC3)nc2)nc1
InChIInChI=1S/C24H27N7O3/c1-16-4-6-19(32)12-20(16)22(33)29-18-14-27-24(28-15-18)30-17-5-7-21(26-13-17)23(34)25-8-11-31-9-2-3-10-31/h4-7,12-15,32H,2-3,8-11H2,1H3,(H,25,34)(H,29,33)(H,27,28,30)
InChIKeyJDJHXAQWTJSTQE-UHFFFAOYSA-N
XLogP2.71
TPSA132.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-4-hydroxy-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]benzamide
CID 11852114
2,6-dimethyl-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]benzamide
CID 11852117
4-[[5-[2-(2-bromo-5-hydroxyphenyl)-2-oxoethyl]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58455626
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766
2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
CID 11852008
2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
CID 159367869
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
5-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-2-carboxamide
CID 106327192
2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]benzamide
CID 143609691

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (CID 143297900) is 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is Cc1ccc(O)cc1C(=O)Nc1cnc(Nc2ccc(C(=O)NCCN3CCCC3)nc2)nc1.
What is the InChIKey of 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is JDJHXAQWTJSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-16-4-6-19(32)12-20(16)22(33)29-18-14-27-24(28-15-18)30-17-5-7-21(26-13-17)23(34)25-8-11-31-9-2-3-10-31/h4-7,12-15,32H,2-3,8-11H2,1H3,(H,25,34)(H,29,33)(H,27,28,30).
What are the key properties of 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.71, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 143297900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).