trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C19H26N4O2 — CID 91783397

IUPACtrans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C([C@H]1CCC[C@H](O)C1)N(CCCn1ccnc1)Cc1cccnc1
InChIInChI=1S/C19H26N4O2/c24-18-6-1-5-17(12-18)19(25)23(14-16-4-2-7-20-13-16)10-3-9-22-11-8-21-15-22/h2,4,7-8,11,13,15,17-18,24H,1,3,5-6,9-10,12,14H2/t17-,18-/m0/s1
InChIKeyMBFQOSCPGBJCRO-ROUUACIJSA-N
MW342.44 g/mol
LogP2.25
Rot. Bonds7

About trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 91783397) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID91783397
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametrans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C([C@H]1CCC[C@H](O)C1)N(CCCn1ccnc1)Cc1cccnc1
InChIInChI=1S/C19H26N4O2/c24-18-6-1-5-17(12-18)19(25)23(14-16-4-2-7-20-13-16)10-3-9-22-11-8-21-15-22/h2,4,7-8,11,13,15,17-18,24H,1,3,5-6,9-10,12,14H2/t17-,18-/m0/s1
InChIKeyMBFQOSCPGBJCRO-ROUUACIJSA-N
XLogP2.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 74244457
N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)spiro[2.2]pentane-2-carboxamide
CID 119069459
4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46982431
3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
CID 5112135
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)prop-2-enamide;formic acid
CID 154912669
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
trans-(1S,3S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 91759896
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110426908
trans-(1S,3S)-N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 91777723
(3S)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99943887
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
cis-(1S,3R)-3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 133109618

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 91783397) is trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is O=C([C@H]1CCC[C@H](O)C1)N(CCCn1ccnc1)Cc1cccnc1.
What is the InChIKey of trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MBFQOSCPGBJCRO-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-6-1-5-17(12-18)19(25)23(14-16-4-2-7-20-13-16)10-3-9-22-11-8-21-15-22/h2,4,7-8,11,13,15,17-18,24H,1,3,5-6,9-10,12,14H2/t17-,18-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91783397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).