4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide

C21H25N3O2 — CID 162682910

IUPAC4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)CC[C@@H]1O
InChIInChI=1S/C21H25N3O2/c1-14-13-24(10-8-20(14)25)16-7-9-22-19(11-16)21(26)23-18-12-17(18)15-5-3-2-4-6-15/h2-7,9,11,14,17-18,20,25H,8,10,12-13H2,1H3,(H,23,26)/t14-,17+,18-,20+/m1/s1
InChIKeyALXAPABVGXINJU-GBYFWLHCSA-N
MW351.45 g/mol
LogP2.57
Rot. Bonds4

About 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide

4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide (PubChem CID 162682910) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
PubChem CID162682910
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)CC[C@@H]1O
InChIInChI=1S/C21H25N3O2/c1-14-13-24(10-8-20(14)25)16-7-9-22-19(11-16)21(26)23-18-12-17(18)15-5-3-2-4-6-15/h2-7,9,11,14,17-18,20,25H,8,10,12-13H2,1H3,(H,23,26)/t14-,17+,18-,20+/m1/s1
InChIKeyALXAPABVGXINJU-GBYFWLHCSA-N
XLogP2.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
N-[(1S,2R)-2-phenylcyclobutyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 97081710
4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1R,2S)-2-methyl-2-phenylcyclopropyl]pyridine-2-carboxamide
CID 162682717
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
CID 97316438
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 102776437

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide (CID 162682910) is 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide is C[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)CC[C@@H]1O.
What is the InChIKey of 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
The InChIKey is ALXAPABVGXINJU-GBYFWLHCSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-13-24(10-8-20(14)25)16-7-9-22-19(11-16)21(26)23-18-12-17(18)15-5-3-2-4-6-15/h2-7,9,11,14,17-18,20,25H,8,10,12-13H2,1H3,(H,23,26)/t14-,17+,18-,20+/m1/s1.
What are the key properties of 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 162682910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).