N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide

C21H27N3O — CID 95097436

IUPACN-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C21H27N3O/c1-3-16(2)23-21(25)18-9-7-17(8-10-18)19-11-12-20(22-15-19)24-13-5-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyYEFSXIPNMLTBPB-INIZCTEOSA-N
MW337.47 g/mol
LogP4.27
Rot. Bonds5

About N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide

N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide (PubChem CID 95097436) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
PubChem CID95097436
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C21H27N3O/c1-3-16(2)23-21(25)18-9-7-17(8-10-18)19-11-12-20(22-15-19)24-13-5-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyYEFSXIPNMLTBPB-INIZCTEOSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(azepan-1-yl)-3-pyridinyl]benzamide
CID 87199955
4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
CID 83888261
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide (CID 95097436) is N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide is CC[C@H](C)NC(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is YEFSXIPNMLTBPB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-16(2)23-21(25)18-9-7-17(8-10-18)19-11-12-20(22-15-19)24-13-5-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 337.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 95097436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).