2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C17H14ClN5O — CID 44520945

IUPAC2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)
InChIKeyZOBXTLODGZOFPM-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520945) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520945
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)
InChIKeyZOBXTLODGZOFPM-UHFFFAOYSA-N
XLogP2.70
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Mocetinostat
CID 9865515
6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 71557891
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
Pyrido[2,3-d]pyrimidin-7-one deriv. 13
CID 5328633
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328707
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(4-methylpiperazin-1-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328708
3-(2,6-Dichlorophenyl)-1-methyl-7-{[5-(4-methylpiperazin-1-yl)pentyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328709
3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
1,6-naphthyridin-2(1H)-one deriv. 7o
CID 5328714

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520945) is 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZOBXTLODGZOFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23).
What are the key properties of 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).