N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide

C22H25N5O3 — CID 44782920

IUPACN-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2ncc(NC(=O)CCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C22H25N5O3/c1-26(2)13-12-23-21(29)17-9-10-19-24-14-18(22(30)27(19)15-17)25-20(28)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,23,29)(H,25,28)
InChIKeyOYCQEVUNNHTQOT-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.56
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide

N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 44782920) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID44782920
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2ncc(NC(=O)CCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C22H25N5O3/c1-26(2)13-12-23-21(29)17-9-10-19-24-14-18(22(30)27(19)15-17)25-20(28)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,23,29)(H,25,28)
InChIKeyOYCQEVUNNHTQOT-UHFFFAOYSA-N
XLogP1.56
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44782915
N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784714
N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783089
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
CID 155917308
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
3-chloro-11-oxo-N-(2-phenylethyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 3625637

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide (CID 44782920) is N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide is CN(C)CCNC(=O)c1ccc2ncc(NC(=O)CCc3ccccc3)c(=O)n2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is OYCQEVUNNHTQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-26(2)13-12-23-21(29)17-9-10-19-24-14-18(22(30)27(19)15-17)25-20(28)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,23,29)(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide?
N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44782920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).