N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide

C18H19N3O3 — CID 131895570

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)ccc1=O
InChIInChI=1S/C18H19N3O3/c1-21-11-13(4-9-17(21)23)18(24)20-15-5-2-12(3-6-15)10-16(22)19-14-7-8-14/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,22)(H,20,24)
InChIKeyTYVDJOIXIJLZLB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.46
Rot. Bonds5

About N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 131895570) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID131895570
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)ccc1=O
InChIInChI=1S/C18H19N3O3/c1-21-11-13(4-9-17(21)23)18(24)20-15-5-2-12(3-6-15)10-16(22)19-14-7-8-14/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,22)(H,20,24)
InChIKeyTYVDJOIXIJLZLB-UHFFFAOYSA-N
XLogP1.46
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 131895570) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)ccc1=O.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is TYVDJOIXIJLZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21-11-13(4-9-17(21)23)18(24)20-15-5-2-12(3-6-15)10-16(22)19-14-7-8-14/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 131895570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).