N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide

C19H16N6O2 — CID 167559796

IUPACN-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide
SMILESCOc1cc2c(cc1Nc1cc(NC(=O)c3ccccn3)ncn1)C=NC2
InChIInChI=1S/C19H16N6O2/c1-27-16-7-13-10-20-9-12(13)6-15(16)24-17-8-18(23-11-22-17)25-19(26)14-4-2-3-5-21-14/h2-9,11H,10H2,1H3,(H2,22,23,24,25,26)
InChIKeyGJGPXPBKJBFGQE-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.81
Rot. Bonds5

About N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide

N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide (PubChem CID 167559796) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide
PubChem CID167559796
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide
SMILESCOc1cc2c(cc1Nc1cc(NC(=O)c3ccccn3)ncn1)C=NC2
InChIInChI=1S/C19H16N6O2/c1-27-16-7-13-10-20-9-12(13)6-15(16)24-17-8-18(23-11-22-17)25-19(26)14-4-2-3-5-21-14/h2-9,11H,10H2,1H3,(H2,22,23,24,25,26)
InChIKeyGJGPXPBKJBFGQE-UHFFFAOYSA-N
XLogP2.81
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 167625495
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
CID 167600605
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide (CID 167559796) is N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide is COc1cc2c(cc1Nc1cc(NC(=O)c3ccccn3)ncn1)C=NC2.
What is the InChIKey of N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide?
The InChIKey is GJGPXPBKJBFGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-27-16-7-13-10-20-9-12(13)6-15(16)24-17-8-18(23-11-22-17)25-19(26)14-4-2-3-5-21-14/h2-9,11H,10H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide?
N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167559796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).