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

C20H26N4O — CID 109201867

IUPACN-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccnc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)17-8-9-18(14(3)12-17)22-16-10-11-21-19(13-16)20(25)23-15-6-7-15/h8-13,15H,4-7H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyKGYJCBFJKCQRDT-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.87
Rot. Bonds7

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

N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide (PubChem CID 109201867) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
PubChem CID109201867
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccnc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)17-8-9-18(14(3)12-17)22-16-10-11-21-19(13-16)20(25)23-15-6-7-15/h8-13,15H,4-7H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyKGYJCBFJKCQRDT-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

N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109203604
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide (CID 109201867) is N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccnc(C(=O)NC3CC3)c2)c(C)c1.
What is the InChIKey of N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide?
The InChIKey is KGYJCBFJKCQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-24(5-2)17-8-9-18(14(3)12-17)22-16-10-11-21-19(13-16)20(25)23-15-6-7-15/h8-13,15H,4-7H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide?
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-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-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide is sourced from PubChem (CID 109201867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).