N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide

C16H26N4O — CID 63853891

IUPACN-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCCCNCC1CCCN(c2ccnc(C(=O)NC)c2)C1
InChIInChI=1S/C16H26N4O/c1-3-7-18-11-13-5-4-9-20(12-13)14-6-8-19-15(10-14)16(21)17-2/h6,8,10,13,18H,3-5,7,9,11-12H2,1-2H3,(H,17,21)
InChIKeyYESYJVNXOXRNEF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds6

About N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide

N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 63853891) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID63853891
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCCCNCC1CCCN(c2ccnc(C(=O)NC)c2)C1
InChIInChI=1S/C16H26N4O/c1-3-7-18-11-13-5-4-9-20(12-13)14-6-8-19-15(10-14)16(21)17-2/h6,8,10,13,18H,3-5,7,9,11-12H2,1-2H3,(H,17,21)
InChIKeyYESYJVNXOXRNEF-UHFFFAOYSA-N
XLogP1.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63241227
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136568235
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
CID 133355871
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62586883
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide (CID 63853891) is N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide is CCCNCC1CCCN(c2ccnc(C(=O)NC)c2)C1.
What is the InChIKey of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is YESYJVNXOXRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-7-18-11-13-5-4-9-20(12-13)14-6-8-19-15(10-14)16(21)17-2/h6,8,10,13,18H,3-5,7,9,11-12H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 63853891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).