N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide

C22H28N4O — CID 54597083

IUPACN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide
SMILESCc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-7-6-13-26(16)19-12-14-25(15-19)21-11-10-20(17(2)23-21)24-22(27)18-8-4-3-5-9-18/h3-5,8-11,16,19H,6-7,12-15H2,1-2H3,(H,24,27)/t16-,19-/m0/s1
InChIKeyVOSRGYYQXSUOEL-LPHOPBHVSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds4

About N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide

N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 54597083) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide
PubChem CID54597083
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide
SMILESCc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-7-6-13-26(16)19-12-14-25(15-19)21-11-10-20(17(2)23-21)24-22(27)18-8-4-3-5-9-18/h3-5,8-11,16,19H,6-7,12-15H2,1-2H3,(H,24,27)/t16-,19-/m0/s1
InChIKeyVOSRGYYQXSUOEL-LPHOPBHVSA-N
XLogP3.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
6-((S)-7-Acryloylamino-5-aza-spiro[2.4]hept-5-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038240
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 11717025
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide (CID 54597083) is N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide is Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is VOSRGYYQXSUOEL-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-7-6-13-26(16)19-12-14-25(15-19)21-11-10-20(17(2)23-21)24-22(27)18-8-4-3-5-9-18/h3-5,8-11,16,19H,6-7,12-15H2,1-2H3,(H,24,27)/t16-,19-/m0/s1.
What are the key properties of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide?
N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 54597083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).