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

C18H15ClN4O — CID 10131963

IUPACN-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyBYYGTPFQKSTOIQ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

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

N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10131963) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10131963
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyBYYGTPFQKSTOIQ-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10131963) is N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is BYYGTPFQKSTOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10131963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).