2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

C20H33N5O2 — CID 72862830

IUPAC2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1
InChIInChI=1S/C20H33N5O2/c1-21-20(27)17-6-3-8-22-19(17)25-9-7-18(16(15-25)5-4-14-26)24-12-10-23(2)11-13-24/h3,6,8,16,18,26H,4-5,7,9-15H2,1-2H3,(H,21,27)/t16-,18+/m1/s1
InChIKeySJLPKKVYJNSYEV-AEFFLSMTSA-N
MW375.52 g/mol
LogP0.66
Rot. Bonds6

About 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 72862830) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID72862830
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1
InChIInChI=1S/C20H33N5O2/c1-21-20(27)17-6-3-8-22-19(17)25-9-7-18(16(15-25)5-4-14-26)24-12-10-23(2)11-13-24/h3,6,8,16,18,26H,4-5,7,9-15H2,1-2H3,(H,21,27)/t16-,18+/m1/s1
InChIKeySJLPKKVYJNSYEV-AEFFLSMTSA-N
XLogP0.66
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol
CID 86284909
[(3S,4R)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 133126884
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
[(3S,4R)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 133110896
[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 72903051
[2-(dimethylamino)phenyl]-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 72932736
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72854648
2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 154898059
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 72862830) is 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1.
What is the InChIKey of 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is SJLPKKVYJNSYEV-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-21-20(27)17-6-3-8-22-19(17)25-9-7-18(16(15-25)5-4-14-26)24-12-10-23(2)11-13-24/h3,6,8,16,18,26H,4-5,7,9-15H2,1-2H3,(H,21,27)/t16-,18+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 72862830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).