N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide

C17H15N5O2 — CID 135436593

IUPACN-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccncc3)cc(=O)[nH]2)c1
InChIInChI=1S/C17H15N5O2/c1-11(23)19-13-3-2-4-14(9-13)20-17-21-15(10-16(24)22-17)12-5-7-18-8-6-12/h2-10H,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyGKTSWFAFOCSNOQ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.53
Rot. Bonds4

About N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide

N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 135436593) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID135436593
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccncc3)cc(=O)[nH]2)c1
InChIInChI=1S/C17H15N5O2/c1-11(23)19-13-3-2-4-14(9-13)20-17-21-15(10-16(24)22-17)12-5-7-18-8-6-12/h2-10H,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyGKTSWFAFOCSNOQ-UHFFFAOYSA-N
XLogP2.53
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 135713561
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide (CID 135436593) is N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3ccncc3)cc(=O)[nH]2)c1.
What is the InChIKey of N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is GKTSWFAFOCSNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11(23)19-13-3-2-4-14(9-13)20-17-21-15(10-16(24)22-17)12-5-7-18-8-6-12/h2-10H,1H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 135436593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).