N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C23H27N5O — CID 109235764

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-4-28(5-2)21-6-7-22(17(3)12-21)27-23(29)19-13-20(16-25-15-19)26-14-18-8-10-24-11-9-18/h6-13,15-16,26H,4-5,14H2,1-3H3,(H,27,29)
InChIKeyXGRMWXRSJHPHIL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.50
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235764) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235764
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-4-28(5-2)21-6-7-22(17(3)12-21)27-23(29)19-13-20(16-25-15-19)26-14-18-8-10-24-11-9-18/h6-13,15-16,26H,4-5,14H2,1-3H3,(H,27,29)
InChIKeyXGRMWXRSJHPHIL-UHFFFAOYSA-N
XLogP4.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235192
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232722
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109235764) is N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is XGRMWXRSJHPHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-4-28(5-2)21-6-7-22(17(3)12-21)27-23(29)19-13-20(16-25-15-19)26-14-18-8-10-24-11-9-18/h6-13,15-16,26H,4-5,14H2,1-3H3,(H,27,29).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).