6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide

C20H20N4O2 — CID 173090979

IUPAC6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide
SMILESNC(=O)c1nc(N)ccc1CNC(=O)CCc1cccc2ccccc12
InChIInChI=1S/C20H20N4O2/c21-17-10-8-15(19(24-17)20(22)26)12-23-18(25)11-9-14-6-3-5-13-4-1-2-7-16(13)14/h1-8,10H,9,11-12H2,(H2,21,24)(H2,22,26)(H,23,25)
InChIKeyOWGYOQRDNVOIFC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.16
Rot. Bonds6

About 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide

6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide (PubChem CID 173090979) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide
PubChem CID173090979
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide
SMILESNC(=O)c1nc(N)ccc1CNC(=O)CCc1cccc2ccccc12
InChIInChI=1S/C20H20N4O2/c21-17-10-8-15(19(24-17)20(22)26)12-23-18(25)11-9-14-6-3-5-13-4-1-2-7-16(13)14/h1-8,10H,9,11-12H2,(H2,21,24)(H2,22,26)(H,23,25)
InChIKeyOWGYOQRDNVOIFC-UHFFFAOYSA-N
XLogP2.16
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
CID 173090749
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
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4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
CID 89353009
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-naphthalen-1-ylpropanamide
CID 167825677
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide (CID 173090979) is 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide is NC(=O)c1nc(N)ccc1CNC(=O)CCc1cccc2ccccc12.
What is the InChIKey of 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide?
The InChIKey is OWGYOQRDNVOIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-17-10-8-15(19(24-17)20(22)26)12-23-18(25)11-9-14-6-3-5-13-4-1-2-7-16(13)14/h1-8,10H,9,11-12H2,(H2,21,24)(H2,22,26)(H,23,25).
What are the key properties of 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide?
6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 173090979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).