N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C19H19N5O3 — CID 72918666

IUPACN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C19H19N5O3/c1-13-5-2-7-16(25)24(13)10-4-9-21-18(26)15-12-22-17(23-19(15)27)14-6-3-8-20-11-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyDUUIHSUUUAUOOF-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.12
Rot. Bonds6

About N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72918666) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72918666
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C19H19N5O3/c1-13-5-2-7-16(25)24(13)10-4-9-21-18(26)15-12-22-17(23-19(15)27)14-6-3-8-20-11-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyDUUIHSUUUAUOOF-UHFFFAOYSA-N
XLogP1.12
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97129962
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72898375
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70769275
N-[[3-(difluoromethoxy)phenyl]methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72881111
2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70783959
N-[4-(methylamino)-4-oxobutyl]-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70765485
1-[4-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butyl]-6-methylpyridin-2-one
CID 166188026
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72918666) is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is Cc1cccc(=O)n1CCCNC(=O)c1cnc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is DUUIHSUUUAUOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-5-2-7-16(25)24(13)10-4-9-21-18(26)15-12-22-17(23-19(15)27)14-6-3-8-20-11-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72918666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).