(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C19H21N5O3 — CID 51499025

IUPAC(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCNC(=O)c3ccccn3)N2C=C1
InChIInChI=1S/C19H21N5O3/c1-13-6-10-24-15(11-13)23-16(25)12-19(24,2)18(27)22-9-8-21-17(26)14-5-3-4-7-20-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,26)(H,22,27)/t19-/m0/s1
InChIKeyDBRUXLDMHLJKKS-IBGZPJMESA-N
MW367.41 g/mol
LogP0.79
Rot. Bonds5

About (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 51499025) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID51499025
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCNC(=O)c3ccccn3)N2C=C1
InChIInChI=1S/C19H21N5O3/c1-13-6-10-24-15(11-13)23-16(25)12-19(24,2)18(27)22-9-8-21-17(26)14-5-3-4-7-20-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,26)(H,22,27)/t19-/m0/s1
InChIKeyDBRUXLDMHLJKKS-IBGZPJMESA-N
XLogP0.79
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
CID 139085666
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
N-[2-[3-(4-hydroxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
CID 130239203
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
CID 169317979
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895

Frequently Asked Questions

What is the IUPAC name of (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 51499025) is (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCNC(=O)c3ccccn3)N2C=C1.
What is the InChIKey of (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is DBRUXLDMHLJKKS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-6-10-24-15(11-13)23-16(25)12-19(24,2)18(27)22-9-8-21-17(26)14-5-3-4-7-20-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,26)(H,22,27)/t19-/m0/s1.
What are the key properties of (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 51499025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).