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

C24H30N4O3 — CID 3224877

IUPACN-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)CC(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)
InChIKeyRVKYYTVKLWJPOD-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.79
Rot. Bonds5

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

N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224877) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224877
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)CC(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)
InChIKeyRVKYYTVKLWJPOD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 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 N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224877) is 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 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 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)CC(C)(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccccc3)N2C=C1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
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 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 3224877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).