N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide

C18H20N4O3 — CID 78857604

IUPACN-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc2ncc(C(=O)N3CCCC3C(=O)NC3CC3)c(=O)n2c1
InChIInChI=1S/C18H20N4O3/c1-11-4-7-15-19-9-13(18(25)22(15)10-11)17(24)21-8-2-3-14(21)16(23)20-12-5-6-12/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3,(H,20,23)
InChIKeyYZNUPGYTLNGYLU-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.89
Rot. Bonds3

About N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 78857604) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID78857604
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc2ncc(C(=O)N3CCCC3C(=O)NC3CC3)c(=O)n2c1
InChIInChI=1S/C18H20N4O3/c1-11-4-7-15-19-9-13(18(25)22(15)10-11)17(24)21-8-2-3-14(21)16(23)20-12-5-6-12/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3,(H,20,23)
InChIKeyYZNUPGYTLNGYLU-UHFFFAOYSA-N
XLogP0.89
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-7-methyl-4-oxo-
CID 3079301
N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51100165
3-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 137840823
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137857358
3-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692535
3-[[(5-Oxopyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692536
3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692668
N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)
CID 171655102
7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 172859377
N-[5-(diethylamino)pentan-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 53603239
N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56795810
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56807969

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide (CID 78857604) is N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide is Cc1ccc2ncc(C(=O)N3CCCC3C(=O)NC3CC3)c(=O)n2c1.
What is the InChIKey of N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is YZNUPGYTLNGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-4-7-15-19-9-13(18(25)22(15)10-11)17(24)21-8-2-3-14(21)16(23)20-12-5-6-12/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78857604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).