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

C14H21N5O2 — CID 166024301

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CNC3NCCCN32)ccc1=O
InChIInChI=1S/C14H21N5O2/c1-2-18-9-10(4-5-12(18)20)17-13(21)11-8-16-14-15-6-3-7-19(11)14/h4-5,9,11,14-16H,2-3,6-8H2,1H3,(H,17,21)
InChIKeyIIPHKLISLFMFTM-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-3-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 166024301) 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-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID166024301
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-3-carboxamide
SMILESCCn1cc(NC(=O)C2CNC3NCCCN32)ccc1=O
InChIInChI=1S/C14H21N5O2/c1-2-18-9-10(4-5-12(18)20)17-13(21)11-8-16-14-15-6-3-7-19(11)14/h4-5,9,11,14-16H,2-3,6-8H2,1H3,(H,17,21)
InChIKeyIIPHKLISLFMFTM-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-3-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-3-carboxamide (CID 166024301) is N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-3-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-3-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-3-carboxamide is CCn1cc(NC(=O)C2CNC3NCCCN32)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-3-carboxamide?
The InChIKey is IIPHKLISLFMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-18-9-10(4-5-12(18)20)17-13(21)11-8-16-14-15-6-3-7-19(11)14/h4-5,9,11,14-16H,2-3,6-8H2,1H3,(H,17,21).
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-3-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine-3-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-3-carboxamide is sourced from PubChem (CID 166024301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).