N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide

C18H16N4O2 — CID 113034083

IUPACN-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccnc3)nc2)c1
InChIInChI=1S/C18H16N4O2/c1-24-16-6-2-5-14(10-16)21-15-7-8-17(20-12-15)22-18(23)13-4-3-9-19-11-13/h2-12,21H,1H3,(H,20,22,23)
InChIKeyHAIDMVNQBLWMLD-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.48
Rot. Bonds5

About N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide

N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 113034083) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID113034083
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccnc3)nc2)c1
InChIInChI=1S/C18H16N4O2/c1-24-16-6-2-5-14(10-16)21-15-7-8-17(20-12-15)22-18(23)13-4-3-9-19-11-13/h2-12,21H,1H3,(H,20,22,23)
InChIKeyHAIDMVNQBLWMLD-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide (CID 113034083) is N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide is COc1cccc(Nc2ccc(NC(=O)c3cccnc3)nc2)c1.
What is the InChIKey of N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is HAIDMVNQBLWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-16-6-2-5-14(10-16)21-15-7-8-17(20-12-15)22-18(23)13-4-3-9-19-11-13/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide?
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113034083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).