N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide

C16H25N3O — CID 100629368

IUPACN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-2-15-8-3-4-11-19(15)12-6-10-18-16(20)14-7-5-9-17-13-14/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeySPNRBSZGQJPSNA-OAHLLOKOSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds6

About N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 100629368) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
PubChem CID100629368
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-2-15-8-3-4-11-19(15)12-6-10-18-16(20)14-7-5-9-17-13-14/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeySPNRBSZGQJPSNA-OAHLLOKOSA-N
XLogP2.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
CID 133154592
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
CID 20883681
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994
3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide (CID 100629368) is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide is CC[C@@H]1CCCCN1CCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The InChIKey is SPNRBSZGQJPSNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-15-8-3-4-11-19(15)12-6-10-18-16(20)14-7-5-9-17-13-14/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 100629368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).