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'}

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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).