4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate

C25H41ClN6O3 — CID 161005260

IUPAC4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate
SMILESC.Cc1cnccc1Cl.Cc1cnccc1N1CCC(C(N)=O)CC1.NC(=O)C1CCNCC1.O
InChIInChI=1S/C12H17N3O.C6H6ClN.C6H12N2O.CH4.H2O/c1-9-8-14-5-2-11(9)15-6-3-10(4-7-15)12(13)16;1-5-4-8-3-2-6(5)7;7-6(9)5-1-3-8-4-2-5;;/h2,5,8,10H,3-4,6-7H2,1H3,(H2,13,16);2-4H,1H3;5,8H,1-4H2,(H2,7,9);1H4;1H2
InChIKeyYXKPUJOYZANZFV-UHFFFAOYSA-N
MW509.10 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate

4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate (PubChem CID 161005260) has the molecular formula C25H41ClN6O3 and a molecular weight of 509.10 g/mol. Its IUPAC name is 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate.

Molecular Properties

Compound Name4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate
PubChem CID161005260
Molecular FormulaC25H41ClN6O3
Molecular Weight509.10 g/mol
Exact Mass508.29
IUPAC Name4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate
SMILESC.Cc1cnccc1Cl.Cc1cnccc1N1CCC(C(N)=O)CC1.NC(=O)C1CCNCC1.O
InChIInChI=1S/C12H17N3O.C6H6ClN.C6H12N2O.CH4.H2O/c1-9-8-14-5-2-11(9)15-6-3-10(4-7-15)12(13)16;1-5-4-8-3-2-6(5)7;7-6(9)5-1-3-8-4-2-5;;/h2,5,8,10H,3-4,6-7H2,1H3,(H2,13,16);2-4H,1H3;5,8H,1-4H2,(H2,7,9);1H4;1H2
InChIKeyYXKPUJOYZANZFV-UHFFFAOYSA-N
XLogP2.42
TPSA158.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.10
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Chloro-3,4'-bipyridin-4-yl)piperidine-4-carboxamide
CID 45275779
1-[3-Chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
CID 45275784
1-(5-Chloro-3,3'-bipyridin-4-yl)piperidine-4-carboxamide
CID 45275880
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(6-chloropyridin-3-yl)piperidine-4-carboxamide
CID 153682104
N-[(2-Chloro-4-fluorophenyl)methyl]-1-(pyridin-4-YL)piperidine-4-carboxamide
CID 46384796
1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide
CID 118730655
N-{3-[4-(3-chlorophenyl)piperazino]propyl}-1-(4-pyridyl)-4-piperidinecarboxamide
CID 46384776
1''-propyl-N-(3-pyridinylmethyl)-1,4':1',4''-terpiperidine-4-carboxamide
CID 28641556
N-[(3-Chlorophenyl)methyl]-1-(pyridin-4-YL)piperidine-3-carboxamide
CID 46384627
N-[(4-Chlorophenyl)methyl]-1-(pyridin-4-YL)piperidine-3-carboxamide
CID 46384628
N~3~-{3-[4-(3-Chlorophenyl)piperazino]propyl}-1-(4-pyridyl)-3-piperidinecarboxamide
CID 46384656
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate?
The IUPAC name of 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate (CID 161005260) is 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate.
What is the SMILES notation for 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate?
The canonical SMILES for 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate is C.Cc1cnccc1Cl.Cc1cnccc1N1CCC(C(N)=O)CC1.NC(=O)C1CCNCC1.O.
What is the InChIKey of 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate?
The InChIKey is YXKPUJOYZANZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.C6H6ClN.C6H12N2O.CH4.H2O/c1-9-8-14-5-2-11(9)15-6-3-10(4-7-15)12(13)16;1-5-4-8-3-2-6(5)7;7-6(9)5-1-3-8-4-2-5;;/h2,5,8,10H,3-4,6-7H2,1H3,(H2,13,16);2-4H,1H3;5,8H,1-4H2,(H2,7,9);1H4;1H2.
What are the key properties of 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate?
4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate has a molecular weight of 509.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylpyridine;methane;1-(3-methyl-4-pyridinyl)piperidine-4-carboxamide;piperidine-4-carboxamide;hydrate is sourced from PubChem (CID 161005260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).