N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide

C14H18N4O2 — CID 133402979

IUPACN,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide
SMILESCNC(=O)C(Nc1cc(=O)n2ccccc2n1)C(C)C
InChIInChI=1S/C14H18N4O2/c1-9(2)13(14(20)15-3)17-10-8-12(19)18-7-5-4-6-11(18)16-10/h4-9,13,17H,1-3H3,(H,15,20)
InChIKeyMOTHBIZUNQRQEE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds4

About N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide

N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide (PubChem CID 133402979) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide
PubChem CID133402979
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide
SMILESCNC(=O)C(Nc1cc(=O)n2ccccc2n1)C(C)C
InChIInChI=1S/C14H18N4O2/c1-9(2)13(14(20)15-3)17-10-8-12(19)18-7-5-4-6-11(18)16-10/h4-9,13,17H,1-3H3,(H,15,20)
InChIKeyMOTHBIZUNQRQEE-UHFFFAOYSA-N
XLogP0.88
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71449589
N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71462106
(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
CID 90670938
1-[(1S)-1-cyano-3-methyl-butyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 90670940
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
1-Cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 23607566
3,3-Dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]butanamide
CID 56944316
3,3-dimethyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)butanamide
CID 7217001
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide
CID 7217002
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
CID 18566209
N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-ethylbutanamide
CID 22580012
1-[3-(Diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 23607558

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide?
The IUPAC name of N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide (CID 133402979) is N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide?
The canonical SMILES for N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide is CNC(=O)C(Nc1cc(=O)n2ccccc2n1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide?
The InChIKey is MOTHBIZUNQRQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)13(14(20)15-3)17-10-8-12(19)18-7-5-4-6-11(18)16-10/h4-9,13,17H,1-3H3,(H,15,20).
What are the key properties of N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide?
N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide has a molecular weight of 274.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 133402979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).