N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H22N4O2 — CID 120649912

IUPACN-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(CCCN)Cc3ccccc3)cnc2c1
InChIInChI=1S/C20H22N4O2/c1-15-8-11-24-18(12-15)22-13-17(20(24)26)19(25)23(10-5-9-21)14-16-6-3-2-4-7-16/h2-4,6-8,11-13H,5,9-10,14,21H2,1H3
InChIKeyKMXFAYRHRRGMHO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.99
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 120649912) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID120649912
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(CCCN)Cc3ccccc3)cnc2c1
InChIInChI=1S/C20H22N4O2/c1-15-8-11-24-18(12-15)22-13-17(20(24)26)19(25)23(10-5-9-21)14-16-6-3-2-4-7-16/h2-4,6-8,11-13H,5,9-10,14,21H2,1H3
InChIKeyKMXFAYRHRRGMHO-UHFFFAOYSA-N
XLogP1.99
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119581850
methyl 2-[(3,4-difluorophenyl)methyl-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetate
CID 75420156
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207034
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277736
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 157197149
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 120649912) is N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)N(CCCN)Cc3ccccc3)cnc2c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KMXFAYRHRRGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-8-11-24-18(12-15)22-13-17(20(24)26)19(25)23(10-5-9-21)14-16-6-3-2-4-7-16/h2-4,6-8,11-13H,5,9-10,14,21H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120649912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).