3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide

C14H16N4O — CID 104742770

IUPAC3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ncccc1N
InChIInChI=1S/C14H16N4O/c1-2-10-5-3-7-16-12(10)9-18-14(19)13-11(15)6-4-8-17-13/h3-8H,2,9,15H2,1H3,(H,18,19)
InChIKeyOFPGUGISCNHJAJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 104742770) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID104742770
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ncccc1N
InChIInChI=1S/C14H16N4O/c1-2-10-5-3-7-16-12(10)9-18-14(19)13-11(15)6-4-8-17-13/h3-8H,2,9,15H2,1H3,(H,18,19)
InChIKeyOFPGUGISCNHJAJ-UHFFFAOYSA-N
XLogP1.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide
CID 82748926
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 104742770) is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide is CCc1cccnc1CNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is OFPGUGISCNHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-10-5-3-7-16-12(10)9-18-14(19)13-11(15)6-4-8-17-13/h3-8H,2,9,15H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104742770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).