N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

C16H24N4O2 — CID 119429825

IUPACN-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCNCCCNC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C16H24N4O2/c1-17-7-3-8-19-15(21)14-4-2-11-20(12-14)16(22)13-5-9-18-10-6-13/h5-6,9-10,14,17H,2-4,7-8,11-12H2,1H3,(H,19,21)
InChIKeyTXZRRXHJDJGQGT-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.66
Rot. Bonds6

About N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 119429825) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID119429825
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCNCCCNC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C16H24N4O2/c1-17-7-3-8-19-15(21)14-4-2-11-20(12-14)16(22)13-5-9-18-10-6-13/h5-6,9-10,14,17H,2-4,7-8,11-12H2,1H3,(H,19,21)
InChIKeyTXZRRXHJDJGQGT-UHFFFAOYSA-N
XLogP0.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136529041
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 119429825) is N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is CNCCCNC(=O)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is TXZRRXHJDJGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-17-7-3-8-19-15(21)14-4-2-11-20(12-14)16(22)13-5-9-18-10-6-13/h5-6,9-10,14,17H,2-4,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119429825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).