N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide

C19H19ClIN3O2 — CID 55924407

IUPACN-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1I
InChIInChI=1S/C19H19ClIN3O2/c1-12-4-2-6-15(17(12)21)19(26)24-9-3-5-13(11-24)18(25)23-16-8-7-14(20)10-22-16/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,22,23,25)
InChIKeyTVCVUZFQNJBWLT-UHFFFAOYSA-N
MW483.74 g/mol
LogP4.14
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 55924407) has the molecular formula C19H19ClIN3O2 and a molecular weight of 483.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
PubChem CID55924407
Molecular FormulaC19H19ClIN3O2
Molecular Weight483.74 g/mol
Exact Mass483.02
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1I
InChIInChI=1S/C19H19ClIN3O2/c1-12-4-2-6-15(17(12)21)19(26)24-9-3-5-13(11-24)18(25)23-16-8-7-14(20)10-22-16/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,22,23,25)
InChIKeyTVCVUZFQNJBWLT-UHFFFAOYSA-N
XLogP4.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55818612
3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 155947673
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 99783486
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide
CID 51960694
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide (CID 55924407) is N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide is Cc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1I.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is TVCVUZFQNJBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClIN3O2/c1-12-4-2-6-15(17(12)21)19(26)24-9-3-5-13(11-24)18(25)23-16-8-7-14(20)10-22-16/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,22,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 483.74 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55924407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).