N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide

C18H24N4O — CID 109229099

IUPACN-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cncc(C(=O)NCCN(C)C)c1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-14(15-7-5-4-6-8-15)21-17-11-16(12-19-13-17)18(23)20-9-10-22(2)3/h4-8,11-14,21H,9-10H2,1-3H3,(H,20,23)
InChIKeyBITZEZJLVWFAGA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109229099) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109229099
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cncc(C(=O)NCCN(C)C)c1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-14(15-7-5-4-6-8-15)21-17-11-16(12-19-13-17)18(23)20-9-10-22(2)3/h4-8,11-14,21H,9-10H2,1-3H3,(H,20,23)
InChIKeyBITZEZJLVWFAGA-UHFFFAOYSA-N
XLogP2.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109227650
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232942
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229253
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide (CID 109229099) is N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1cncc(C(=O)NCCN(C)C)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is BITZEZJLVWFAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(15-7-5-4-6-8-15)21-17-11-16(12-19-13-17)18(23)20-9-10-22(2)3/h4-8,11-14,21H,9-10H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109229099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).