N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C19H25N5O2 — CID 110127252

IUPACN-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccnc(N3CCCC3)c2)[C@H]1O
InChIInChI=1S/C19H25N5O2/c1-13-20-8-11-24(13)16-5-4-15(18(16)25)22-19(26)14-6-7-21-17(12-14)23-9-2-3-10-23/h6-8,11-12,15-16,18,25H,2-5,9-10H2,1H3,(H,22,26)/t15-,16-,18-/m1/s1
InChIKeyXRMRDNIYTOJSHQ-JFIYKMOQSA-N
MW355.44 g/mol
LogP1.68
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 110127252) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID110127252
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccnc(N3CCCC3)c2)[C@H]1O
InChIInChI=1S/C19H25N5O2/c1-13-20-8-11-24(13)16-5-4-15(18(16)25)22-19(26)14-6-7-21-17(12-14)23-9-2-3-10-23/h6-8,11-12,15-16,18,25H,2-5,9-10H2,1H3,(H,22,26)/t15-,16-,18-/m1/s1
InChIKeyXRMRDNIYTOJSHQ-JFIYKMOQSA-N
XLogP1.68
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
CID 110127271
N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 110107606
N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclohexyl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 110127838
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide
CID 110163692
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573912
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 110127252) is N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccnc(N3CCCC3)c2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is XRMRDNIYTOJSHQ-JFIYKMOQSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-20-8-11-24(13)16-5-4-15(18(16)25)22-19(26)14-6-7-21-17(12-14)23-9-2-3-10-23/h6-8,11-12,15-16,18,25H,2-5,9-10H2,1H3,(H,22,26)/t15-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 110127252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).