4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide

C15H16ClN3O — CID 81225507

IUPAC4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cnccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-19(12-5-3-2-4-6-12)10-9-18-15(20)13-11-17-8-7-14(13)16/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyBINDPDOKMALIHQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.60
Rot. Bonds5

About 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide

4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 81225507) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
PubChem CID81225507
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cnccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-19(12-5-3-2-4-6-12)10-9-18-15(20)13-11-17-8-7-14(13)16/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyBINDPDOKMALIHQ-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide (CID 81225507) is 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide is CN(CCNC(=O)c1cnccc1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is BINDPDOKMALIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(12-5-3-2-4-6-12)10-9-18-15(20)13-11-17-8-7-14(13)16/h2-8,11H,9-10H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81225507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).