N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide

C15H17Cl2N5O — CID 86991618

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H17Cl2N5O/c1-22(2)13-4-3-10(8-20-13)15(23)19-6-5-18-14-12(17)7-11(16)9-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyVMJAXIINQJUDSL-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.69
Rot. Bonds6

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 86991618) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID86991618
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H17Cl2N5O/c1-22(2)13-4-3-10(8-20-13)15(23)19-6-5-18-14-12(17)7-11(16)9-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyVMJAXIINQJUDSL-UHFFFAOYSA-N
XLogP2.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47061417
N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 114835711
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 55023997
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 110888066
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55722300
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 39471295
4-chloro-N-[2-[[3-chloro-5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]ethyl]benzamide
CID 74380686
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894418

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 86991618) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is VMJAXIINQJUDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-22(2)13-4-3-10(8-20-13)15(23)19-6-5-18-14-12(17)7-11(16)9-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 86991618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).