N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

C23H27N5O3 — CID 164620834

IUPACN-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NC2CCC(O)CC2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C23H27N5O3/c1-15(20-5-3-4-12-24-20)31-22-11-6-16(13-19(22)21-14-28(2)27-26-21)23(30)25-17-7-9-18(29)10-8-17/h3-6,11-15,17-18,29H,7-10H2,1-2H3,(H,25,30)/t15-,17?,18?/m0/s1
InChIKeyNMOZQANGITUKCB-ZLPCBKJTSA-N
MW421.50 g/mol
LogP3.05
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (PubChem CID 164620834) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
PubChem CID164620834
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NC2CCC(O)CC2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C23H27N5O3/c1-15(20-5-3-4-12-24-20)31-22-11-6-16(13-19(22)21-14-28(2)27-26-21)23(30)25-17-7-9-18(29)10-8-17/h3-6,11-15,17-18,29H,7-10H2,1-2H3,(H,25,30)/t15-,17?,18?/m0/s1
InChIKeyNMOZQANGITUKCB-ZLPCBKJTSA-N
XLogP3.05
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
CID 82070196
N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
CID 45232215
3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide
CID 67024249
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
CID 55776583
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-(4-hydroxycyclohexyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 100815207
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (CID 164620834) is N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is C[C@H](Oc1ccc(C(=O)NC2CCC(O)CC2)cc1-c1cn(C)nn1)c1ccccn1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The InChIKey is NMOZQANGITUKCB-ZLPCBKJTSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(20-5-3-4-12-24-20)31-22-11-6-16(13-19(22)21-14-28(2)27-26-21)23(30)25-17-7-9-18(29)10-8-17/h3-6,11-15,17-18,29H,7-10H2,1-2H3,(H,25,30)/t15-,17?,18?/m0/s1.
What are the key properties of N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide has a molecular weight of 421.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is sourced from PubChem (CID 164620834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).