4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide

C17H16ClN5O — CID 90034362

IUPAC4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide
SMILESCNc1cc(-n2cc(C(N)=O)c(-c3cc(Cl)ccc3C)c2)ncn1
InChIInChI=1S/C17H16ClN5O/c1-10-3-4-11(18)5-12(10)13-7-23(8-14(13)17(19)24)16-6-15(20-2)21-9-22-16/h3-9H,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyNRKKGAQGWMSKRH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.04
Rot. Bonds4

About 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide

4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide (PubChem CID 90034362) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide
PubChem CID90034362
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide
SMILESCNc1cc(-n2cc(C(N)=O)c(-c3cc(Cl)ccc3C)c2)ncn1
InChIInChI=1S/C17H16ClN5O/c1-10-3-4-11(18)5-12(10)13-7-23(8-14(13)17(19)24)16-6-15(20-2)21-9-22-16/h3-9H,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyNRKKGAQGWMSKRH-UHFFFAOYSA-N
XLogP3.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Aminopyrimidin-4-Yl)-2-(5-Chloro-2-Methylphenyl)-1h-Pyrrole-3-Carboxamide
CID 57659335
3-({4-[(5-Chloro-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138022
2-(5-Chloro-2-Methylphenyl)-1-Methyl-5-(2-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 76210601
4-chloro-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24686092
4-Chloro-N-{3-[(4-methylpyridin-2-yl)amino]-3-oxopropyl}benzamide
CID 24687552
A1AR antagonist 5
CID 135646528
5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 24809801
5-(2-aminopyrimidin-4-yl)-2-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 24809834
5-(2-amino-5-chloropyrimidin-4-yl)-2-p-tolyl-1H-pyrrole-3-carboxamide
CID 24809931
(S)-3-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
CID 46886531
(S)-4-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
CID 46886532
5-(2-aminopyrimidin-4-yl)-2-(3-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 57659282

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide (CID 90034362) is 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide is CNc1cc(-n2cc(C(N)=O)c(-c3cc(Cl)ccc3C)c2)ncn1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is NRKKGAQGWMSKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-10-3-4-11(18)5-12(10)13-7-23(8-14(13)17(19)24)16-6-15(20-2)21-9-22-16/h3-9H,1-2H3,(H2,19,24)(H,20,21,22).
What are the key properties of 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide?
4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 90034362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).