(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C24H30N4O3 — CID 7436657

IUPAC(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccccc3)N2C=C1
InChIInChI=1S/C24H30N4O3/c1-17-11-12-28-19(13-17)25-20(29)14-24(28,5)22(31)27(15-18-9-7-6-8-10-18)16-21(30)26-23(2,3)4/h6-13H,14-16H2,1-5H3,(H,26,30)/t24-/m1/s1
InChIKeyRVKYYTVKLWJPOD-XMMPIXPASA-N
MW422.53 g/mol
LogP2.79
Rot. Bonds5

About (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 7436657) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID7436657
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccccc3)N2C=C1
InChIInChI=1S/C24H30N4O3/c1-17-11-12-28-19(13-17)25-20(29)14-24(28,5)22(31)27(15-18-9-7-6-8-10-18)16-21(30)26-23(2,3)4/h6-13H,14-16H2,1-5H3,(H,26,30)/t24-/m1/s1
InChIKeyRVKYYTVKLWJPOD-XMMPIXPASA-N
XLogP2.79
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224114
(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7226830
N'-benzyl-N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 43814830
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
CID 8620942
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51156736
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
CID 8563436
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718

Frequently Asked Questions

What is the IUPAC name of (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 7436657) is (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccccc3)N2C=C1.
What is the InChIKey of (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is RVKYYTVKLWJPOD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-11-12-28-19(13-17)25-20(29)14-24(28,5)22(31)27(15-18-9-7-6-8-10-18)16-21(30)26-23(2,3)4/h6-13H,14-16H2,1-5H3,(H,26,30)/t24-/m1/s1.
What are the key properties of (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 7436657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).