N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide

C20H26N4O — CID 109223740

IUPACN-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2cncc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)18-8-9-19(14(3)10-18)22-17-11-15(12-21-13-17)20(25)23-16-6-7-16/h8-13,16,22H,4-7H2,1-3H3,(H,23,25)
InChIKeyWEDCHJCXMHFDQO-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.87
Rot. Bonds7

About N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide

N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide (PubChem CID 109223740) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
PubChem CID109223740
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2cncc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)18-8-9-19(14(3)10-18)22-17-11-15(12-21-13-17)20(25)23-16-6-7-16/h8-13,16,22H,4-7H2,1-3H3,(H,23,25)
InChIKeyWEDCHJCXMHFDQO-UHFFFAOYSA-N
XLogP3.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109229882
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109226784
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
N-cyclopropyl-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109223746
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109223741
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235764

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide (CID 109223740) is N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide is CCN(CC)c1ccc(Nc2cncc(C(=O)NC3CC3)c2)c(C)c1.
What is the InChIKey of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide?
The InChIKey is WEDCHJCXMHFDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-24(5-2)18-8-9-19(14(3)10-18)22-17-11-15(12-21-13-17)20(25)23-16-6-7-16/h8-13,16,22H,4-7H2,1-3H3,(H,23,25).
What are the key properties of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide?
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide is sourced from PubChem (CID 109223740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).