N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide

C17H23N5O — CID 167951472

IUPACN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCn1ccnc1CN(C(=O)c1cc[nH]c1)C1CC12CCNCC2
InChIInChI=1S/C17H23N5O/c1-21-9-8-20-15(21)12-22(16(23)13-2-5-19-11-13)14-10-17(14)3-6-18-7-4-17/h2,5,8-9,11,14,18-19H,3-4,6-7,10,12H2,1H3
InChIKeyXQAAPYYKQATJPR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.53
Rot. Bonds4

About N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide

N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 167951472) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID167951472
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCn1ccnc1CN(C(=O)c1cc[nH]c1)C1CC12CCNCC2
InChIInChI=1S/C17H23N5O/c1-21-9-8-20-15(21)12-22(16(23)13-2-5-19-11-13)14-10-17(14)3-6-18-7-4-17/h2,5,8-9,11,14,18-19H,3-4,6-7,10,12H2,1H3
InChIKeyXQAAPYYKQATJPR-UHFFFAOYSA-N
XLogP1.53
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 129475917
N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 154814695
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129466442
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 129466296
(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide
CID 129466658
(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 129350140
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 129465717
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 129465718
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 128992326
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845200
(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476402

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (CID 167951472) is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is Cn1ccnc1CN(C(=O)c1cc[nH]c1)C1CC12CCNCC2.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is XQAAPYYKQATJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-9-8-20-15(21)12-22(16(23)13-2-5-19-11-13)14-10-17(14)3-6-18-7-4-17/h2,5,8-9,11,14,18-19H,3-4,6-7,10,12H2,1H3.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 167951472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).