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

C18H22N4O3 — CID 110157409

IUPACN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
SMILESCN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1cccnc1
InChIInChI=1S/C18H22N4O3/c1-22(2)16-14(21-18(24)12-5-3-7-19-10-12)9-15(17(16)23)25-13-6-4-8-20-11-13/h3-8,10-11,14-17,23H,9H2,1-2H3,(H,21,24)/t14-,15-,16+,17+/m1/s1
InChIKeyVHJLWFQCDQOOIZ-NCOADZHNSA-N
MW342.40 g/mol
LogP0.72
Rot. Bonds5

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

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide (PubChem CID 110157409) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
PubChem CID110157409
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
SMILESCN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1cccnc1
InChIInChI=1S/C18H22N4O3/c1-22(2)16-14(21-18(24)12-5-3-7-19-10-12)9-15(17(16)23)25-13-6-4-8-20-11-13/h3-8,10-11,14-17,23H,9H2,1-2H3,(H,21,24)/t14-,15-,16+,17+/m1/s1
InChIKeyVHJLWFQCDQOOIZ-NCOADZHNSA-N
XLogP0.72
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
CID 110157359
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
CID 110158004
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)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 110157342
(1R,2S,3R,5R)-2-(dimethylamino)-5-phenoxy-3-(pyrimidin-2-ylamino)cyclopentan-1-ol
CID 110157505
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-pyridin-3-ylacetamide
CID 110158519
3-[[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2-[(4-fluorophenyl)methyl-methylamino]-3-hydroxycyclopentyl]carbamoyl]benzoic acid
CID 110148132
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
CID 142751130

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide (CID 110157409) is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide is CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1cccnc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide?
The InChIKey is VHJLWFQCDQOOIZ-NCOADZHNSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(2)16-14(21-18(24)12-5-3-7-19-10-12)9-15(17(16)23)25-13-6-4-8-20-11-13/h3-8,10-11,14-17,23H,9H2,1-2H3,(H,21,24)/t14-,15-,16+,17+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide?
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]pyridine-3-carboxamide is sourced from PubChem (CID 110157409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).