N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide

C16H25N3O — CID 56712999

IUPACN-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC2CCCN(C)C2)ccn1
InChIInChI=1S/C16H25N3O/c1-3-5-15-10-14(7-8-17-15)16(20)18-11-13-6-4-9-19(2)12-13/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,18,20)
InChIKeyVLKDCUQIMJXHLZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds5

About N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide

N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide (PubChem CID 56712999) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
PubChem CID56712999
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC2CCCN(C)C2)ccn1
InChIInChI=1S/C16H25N3O/c1-3-5-15-10-14(7-8-17-15)16(20)18-11-13-6-4-9-19(2)12-13/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,18,20)
InChIKeyVLKDCUQIMJXHLZ-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116342
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 62175962
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide (CID 56712999) is N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCC2CCCN(C)C2)ccn1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide?
The InChIKey is VLKDCUQIMJXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-5-15-10-14(7-8-17-15)16(20)18-11-13-6-4-9-19(2)12-13/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide?
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide is sourced from PubChem (CID 56712999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).