2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide

C24H17N5O — CID 91131279

IUPAC2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide
SMILESCc1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1
InChIInChI=1S/C24H17N5O/c1-15-6-10-25-20(12-15)21-14-17(7-11-26-21)24(30)29-19-13-16-4-2-8-27-22(16)23-18(19)5-3-9-28-23/h2-14H,1H3,(H,29,30)
InChIKeyJMRWWQYZEWLMCT-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.80
Rot. Bonds3

About 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide

2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide (PubChem CID 91131279) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide
PubChem CID91131279
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC Name2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide
SMILESCc1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1
InChIInChI=1S/C24H17N5O/c1-15-6-10-25-20(12-15)21-14-17(7-11-26-21)24(30)29-19-13-16-4-2-8-27-22(16)23-18(19)5-3-9-28-23/h2-14H,1H3,(H,29,30)
InChIKeyJMRWWQYZEWLMCT-UHFFFAOYSA-N
XLogP4.80
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Phen-DC 3
CID 44449504
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
SN 6999
CID 149449
Quinolinium dibromide
CID 162087
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925641
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347
Phen-DC6
CID 124201739
Pyrido[4,3-a]phenazine-11-carboxamide, N-[2-(dimethylamino)ethyl]-
CID 10154612

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide (CID 91131279) is 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide is Cc1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide?
The InChIKey is JMRWWQYZEWLMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c1-15-6-10-25-20(12-15)21-14-17(7-11-26-21)24(30)29-19-13-16-4-2-8-27-22(16)23-18(19)5-3-9-28-23/h2-14H,1H3,(H,29,30).
What are the key properties of 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide?
2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-N-(1,10-phenanthrolin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 91131279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).