(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide

C11H11N3O — CID 142785551

IUPAC(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide
SMILESNC(=O)C1=CCN2/C=C\C=C/C=C\C2=N1
InChIInChI=1S/C11H11N3O/c12-11(15)9-6-8-14-7-4-2-1-3-5-10(14)13-9/h1-7H,8H2,(H2,12,15)/b2-1-,5-3-,7-4-
InChIKeyOHMRUMHIWSKXBM-XPFMFLLJSA-N
MW201.23 g/mol
LogP0.71
Rot. Bonds1

About (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide

(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide (PubChem CID 142785551) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide.

Molecular Properties

Compound Name(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide
PubChem CID142785551
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide
SMILESNC(=O)C1=CCN2/C=C\C=C/C=C\C2=N1
InChIInChI=1S/C11H11N3O/c12-11(15)9-6-8-14-7-4-2-1-3-5-10(14)13-9/h1-7H,8H2,(H2,12,15)/b2-1-,5-3-,7-4-
InChIKeyOHMRUMHIWSKXBM-XPFMFLLJSA-N
XLogP0.71
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23459858
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CID 171976071
N-(2-aminoethyl)-3-(3-oxo-4H-pyrido[2,1-c][1,2,4]triazin-2-yl)propanamide
CID 82151617
(2S)-2,6-diaminohexanoic acid;4H-quinolizine-2-carboxylic acid
CID 87603218
4H-pyrido[1,2-a]pyrimidine;pyrimidine
CID 162102862
3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane
CID 176666508
(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride
CID 52993133
2-(trifluoromethyl)-3,4-dihydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 163650385
ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine
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(3R)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93495431
3H-imidazo[1,2-a]azepin-9-amine
CID 69366373

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide?
The IUPAC name of (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide (CID 142785551) is (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide.
What is the SMILES notation for (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide?
The canonical SMILES for (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide is NC(=O)C1=CCN2/C=C\C=C/C=C\C2=N1.
What is the InChIKey of (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide?
The InChIKey is OHMRUMHIWSKXBM-XPFMFLLJSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)9-6-8-14-7-4-2-1-3-5-10(14)13-9/h1-7H,8H2,(H2,12,15)/b2-1-,5-3-,7-4-.
What are the key properties of (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide?
(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide is sourced from PubChem (CID 142785551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).