N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide

C16H24N4O2 — CID 124595352

IUPACN-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C
InChIInChI=1S/C16H24N4O2/c1-12-5-9-20(11-13(12)2)16(22)19-8-7-18-15(21)14-4-3-6-17-10-14/h3-4,6,10,12-13H,5,7-9,11H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKeyYXHLTBQWWUKOEP-OLZOCXBDSA-N
MW304.39 g/mol
LogP1.50
Rot. Bonds4

About N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 124595352) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID124595352
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C
InChIInChI=1S/C16H24N4O2/c1-12-5-9-20(11-13(12)2)16(22)19-8-7-18-15(21)14-4-3-6-17-10-14/h3-4,6,10,12-13H,5,7-9,11H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKeyYXHLTBQWWUKOEP-OLZOCXBDSA-N
XLogP1.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
N-[2-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 109427802
N-[2-[(1-cyclopentylpiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72909443
N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97203330
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
CID 84510606

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide (CID 124595352) is N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide is C[C@@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C.
What is the InChIKey of N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is YXHLTBQWWUKOEP-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-5-9-20(11-13(12)2)16(22)19-8-7-18-15(21)14-4-3-6-17-10-14/h3-4,6,10,12-13H,5,7-9,11H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1.
What are the key properties of N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 124595352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).