N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C14H21N5O2 — CID 166024242

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CN3CCCNC3N2)ccc1=O
InChIInChI=1S/C14H21N5O2/c1-2-18-8-10(4-5-12(18)20)16-13(21)11-9-19-7-3-6-15-14(19)17-11/h4-5,8,11,14-15,17H,2-3,6-7,9H2,1H3,(H,16,21)
InChIKeyNBPXFAWHXYHYHN-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.64
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 166024242) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID166024242
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CN3CCCNC3N2)ccc1=O
InChIInChI=1S/C14H21N5O2/c1-2-18-8-10(4-5-12(18)20)16-13(21)11-9-19-7-3-6-15-14(19)17-11/h4-5,8,11,14-15,17H,2-3,6-7,9H2,1H3,(H,16,21)
InChIKeyNBPXFAWHXYHYHN-UHFFFAOYSA-N
XLogP-0.64
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 166024242) is N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide is CCn1cc(NC(=O)C2CN3CCCNC3N2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NBPXFAWHXYHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-18-8-10(4-5-12(18)20)16-13(21)11-9-19-7-3-6-15-14(19)17-11/h4-5,8,11,14-15,17H,2-3,6-7,9H2,1H3,(H,16,21).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166024242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).