N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

C20H19ClN4O — CID 109171926

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C20H19ClN4O/c21-18-5-1-3-15(11-18)6-9-24-20(26)17-7-10-23-19(12-17)25-14-16-4-2-8-22-13-16/h1-5,7-8,10-13H,6,9,14H2,(H,23,25)(H,24,26)
InChIKeyVRFYNDNBQOREBQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171926) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171926
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C20H19ClN4O/c21-18-5-1-3-15(11-18)6-9-24-20(26)17-7-10-23-19(12-17)25-14-16-4-2-8-22-13-16/h1-5,7-8,10-13H,6,9,14H2,(H,23,25)(H,24,26)
InChIKeyVRFYNDNBQOREBQ-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (CID 109171926) is N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1ccnc(NCc2cccnc2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is VRFYNDNBQOREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-5-1-3-15(11-18)6-9-24-20(26)17-7-10-23-19(12-17)25-14-16-4-2-8-22-13-16/h1-5,7-8,10-13H,6,9,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).