N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide

C18H24N4O — CID 109203188

IUPACN-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H24N4O/c1-13(2)12-20-15-9-10-19-17(11-15)18(23)21-14-5-7-16(8-6-14)22(3)4/h5-11,13H,12H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyDEDPMXTZZBHNDC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.47
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109203188) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109203188
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H24N4O/c1-13(2)12-20-15-9-10-19-17(11-15)18(23)21-14-5-7-16(8-6-14)22(3)4/h5-11,13H,12H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyDEDPMXTZZBHNDC-UHFFFAOYSA-N
XLogP3.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.47
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-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203163
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214623
N-(2-ethylphenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203139
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide (CID 109203188) is N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide is CC(C)CNc1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is DEDPMXTZZBHNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)12-20-15-9-10-19-17(11-15)18(23)21-14-5-7-16(8-6-14)22(3)4/h5-11,13H,12H2,1-4H3,(H,19,20)(H,21,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).