N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide

C17H22N4O2 — CID 111428654

IUPACN-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H22N4O2/c22-16(20-12-17(23)7-3-1-2-4-8-17)14-5-6-15(19-11-14)21-10-9-18-13-21/h5-6,9-11,13,23H,1-4,7-8,12H2,(H,20,22)
InChIKeyLTVJAMWYSJCNJY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 111428654) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID111428654
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H22N4O2/c22-16(20-12-17(23)7-3-1-2-4-8-17)14-5-6-15(19-11-14)21-10-9-18-13-21/h5-6,9-11,13,23H,1-4,7-8,12H2,(H,20,22)
InChIKeyLTVJAMWYSJCNJY-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970532

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 111428654) is N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide is O=C(NCC1(O)CCCCCC1)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is LTVJAMWYSJCNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16(20-12-17(23)7-3-1-2-4-8-17)14-5-6-15(19-11-14)21-10-9-18-13-21/h5-6,9-11,13,23H,1-4,7-8,12H2,(H,20,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111428654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).