(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide

C20H33N5O — CID 136581855

IUPAC(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCC(CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)CN1CCN(C)CC1
InChIInChI=1S/C20H33N5O/c1-16(13-24-10-8-23(3)9-11-24)12-22-20(26)18-15-25(14-17(18)2)19-6-4-5-7-21-19/h4-7,16-18H,8-15H2,1-3H3,(H,22,26)/t16?,17-,18-/m1/s1
InChIKeyOQTXMJNIUFOBDL-UKKPGEIXSA-N
MW359.52 g/mol
LogP1.15
Rot. Bonds6

About (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 136581855) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID136581855
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCC(CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)CN1CCN(C)CC1
InChIInChI=1S/C20H33N5O/c1-16(13-24-10-8-23(3)9-11-24)12-22-20(26)18-15-25(14-17(18)2)19-6-4-5-7-21-19/h4-7,16-18H,8-15H2,1-3H3,(H,22,26)/t16?,17-,18-/m1/s1
InChIKeyOQTXMJNIUFOBDL-UKKPGEIXSA-N
XLogP1.15
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977916
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128987227
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154814596
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977351
(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47716587
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 167792405
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
(3S,4S)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128984281

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide (CID 136581855) is (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide is CC(CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)CN1CCN(C)CC1.
What is the InChIKey of (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OQTXMJNIUFOBDL-UKKPGEIXSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16(13-24-10-8-23(3)9-11-24)12-22-20(26)18-15-25(14-17(18)2)19-6-4-5-7-21-19/h4-7,16-18H,8-15H2,1-3H3,(H,22,26)/t16?,17-,18-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136581855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).