N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C16H20N4O — CID 109191623

IUPACN,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C16H20N4O/c1-3-20(4-2)16(21)15-6-5-14(12-19-15)18-11-13-7-9-17-10-8-13/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyDFEXJEZMQYMYRX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds6

About N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191623) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191623
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C16H20N4O/c1-3-20(4-2)16(21)15-6-5-14(12-19-15)18-11-13-7-9-17-10-8-13/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyDFEXJEZMQYMYRX-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191623) is N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(NCc2ccncc2)cn1.
What is the InChIKey of N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is DFEXJEZMQYMYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-20(4-2)16(21)15-6-5-14(12-19-15)18-11-13-7-9-17-10-8-13/h5-10,12,18H,3-4,11H2,1-2H3.
What are the key properties of N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).