4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C15H18N4O — CID 62168228

IUPAC4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C15H18N4O/c1-3-17-13-6-8-18-14(9-13)15(20)19(2)11-12-5-4-7-16-10-12/h4-10H,3,11H2,1-2H3,(H,17,18)
InChIKeyZOQQBGGHAQLLHD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds5

About 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 62168228) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID62168228
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C15H18N4O/c1-3-17-13-6-8-18-14(9-13)15(20)19(2)11-12-5-4-7-16-10-12/h4-10H,3,11H2,1-2H3,(H,17,18)
InChIKeyZOQQBGGHAQLLHD-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
4-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180747
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-benzyl-4-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210893
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 62168228) is 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CCNc1ccnc(C(=O)N(C)Cc2cccnc2)c1.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ZOQQBGGHAQLLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-17-13-6-8-18-14(9-13)15(20)19(2)11-12-5-4-7-16-10-12/h4-10H,3,11H2,1-2H3,(H,17,18).
What are the key properties of 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62168228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).