N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide

C13H18ClIN4O — CID 70900591

IUPACN-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2c(Cl)cncc2I)CC1
InChIInChI=1S/C13H18ClIN4O/c14-10-7-17-8-11(15)12(10)19-5-1-9(2-6-19)13(20)18-4-3-16/h7-9H,1-6,16H2,(H,18,20)
InChIKeyKJDZVWFZPWNUMB-UHFFFAOYSA-N
MW408.67 g/mol
LogP1.63
Rot. Bonds4

About N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide

N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 70900591) has the molecular formula C13H18ClIN4O and a molecular weight of 408.67 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
PubChem CID70900591
Molecular FormulaC13H18ClIN4O
Molecular Weight408.67 g/mol
Exact Mass408.02
IUPAC NameN-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2c(Cl)cncc2I)CC1
InChIInChI=1S/C13H18ClIN4O/c14-10-7-17-8-11(15)12(10)19-5-1-9(2-6-19)13(20)18-4-3-16/h7-9H,1-6,16H2,(H,18,20)
InChIKeyKJDZVWFZPWNUMB-UHFFFAOYSA-N
XLogP1.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-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

N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
CID 45275022
N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 146555271
N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
CID 71516167
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one;4-(cyclohexylmethylamino)-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one
CID 161046088
N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 155385774
1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 45274288
N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide
CID 58378262
4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one;benzyl N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]carbamate;methane;hydrate
CID 157421868
[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
CID 146145536
4-amino-1-piperidin-4-ylbutan-1-one;4-[(3,5-dichloro-4-pyridinyl)amino]-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one;3,4,5-trichloropyridine
CID 158862933
N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 83156646

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide (CID 70900591) is N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide is NCCNC(=O)C1CCN(c2c(Cl)cncc2I)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is KJDZVWFZPWNUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN4O/c14-10-7-17-8-11(15)12(10)19-5-1-9(2-6-19)13(20)18-4-3-16/h7-9H,1-6,16H2,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide?
N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 408.67 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 70900591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).