N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide

C19H23N3O3 — CID 110157359

IUPACN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
SMILESCN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-22(2)17-15(21-19(24)13-7-4-3-5-8-13)11-16(18(17)23)25-14-9-6-10-20-12-14/h3-10,12,15-18,23H,11H2,1-2H3,(H,21,24)/t15-,16-,17+,18+/m1/s1
InChIKeyIPHNJBDMYXJNGN-BDXSIMOUSA-N
MW341.41 g/mol
LogP1.32
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide (PubChem CID 110157359) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
PubChem CID110157359
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
SMILESCN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-22(2)17-15(21-19(24)13-7-4-3-5-8-13)11-16(18(17)23)25-14-9-6-10-20-12-14/h3-10,12,15-18,23H,11H2,1-2H3,(H,21,24)/t15-,16-,17+,18+/m1/s1
InChIKeyIPHNJBDMYXJNGN-BDXSIMOUSA-N
XLogP1.32
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157409
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
CID 110158004
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide
CID 110143549
(1R,2S,3R,5R)-2-(dimethylamino)-5-phenoxy-3-(pyrimidin-2-ylamino)cyclopentan-1-ol
CID 110157505
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411
N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 110157911
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-pyridin-3-ylacetamide
CID 110158519
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 110157342
3-[[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2-[(4-fluorophenyl)methyl-methylamino]-3-hydroxycyclopentyl]carbamoyl]benzoic acid
CID 110148132
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
CID 155902479
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157371

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide (CID 110157359) is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide is CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide?
The InChIKey is IPHNJBDMYXJNGN-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-22(2)17-15(21-19(24)13-7-4-3-5-8-13)11-16(18(17)23)25-14-9-6-10-20-12-14/h3-10,12,15-18,23H,11H2,1-2H3,(H,21,24)/t15-,16-,17+,18+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide?
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide is sourced from PubChem (CID 110157359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).