N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide

C18H18ClN5O2 — CID 45380936

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N
InChIInChI=1S/C18H18ClN5O2/c1-18(9-15(25)24(2)17(20)23-18)11-4-3-5-13(8-11)22-16(26)14-7-6-12(19)10-21-14/h3-8,10H,9H2,1-2H3,(H2,20,23)(H,22,26)
InChIKeyPNANZSBGXNGJED-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.38
Rot. Bonds3

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 45380936) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide
PubChem CID45380936
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N
InChIInChI=1S/C18H18ClN5O2/c1-18(9-15(25)24(2)17(20)23-18)11-4-3-5-13(8-11)22-16(26)14-7-6-12(19)10-21-14/h3-8,10H,9H2,1-2H3,(H2,20,23)(H,22,26)
InChIKeyPNANZSBGXNGJED-UHFFFAOYSA-N
XLogP2.38
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide (CID 45380936) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide is CN1C(=O)CC(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is PNANZSBGXNGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-18(9-15(25)24(2)17(20)23-18)11-4-3-5-13(8-11)22-16(26)14-7-6-12(19)10-21-14/h3-8,10H,9H2,1-2H3,(H2,20,23)(H,22,26).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 45380936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).