2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide

C19H23N3O2 — CID 126473718

IUPAC2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(COC)c2)nc1NCC1CC1
InChIInChI=1S/C19H23N3O2/c1-20-19(23)16-8-9-17(22-18(16)21-11-13-6-7-13)15-5-3-4-14(10-15)12-24-2/h3-5,8-10,13H,6-7,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIBOGQWMTNFTNAS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds7

About 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide

2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide (PubChem CID 126473718) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide
PubChem CID126473718
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(COC)c2)nc1NCC1CC1
InChIInChI=1S/C19H23N3O2/c1-20-19(23)16-8-9-17(22-18(16)21-11-13-6-7-13)15-5-3-4-14(10-15)12-24-2/h3-5,8-10,13H,6-7,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIBOGQWMTNFTNAS-UHFFFAOYSA-N
XLogP3.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide (CID 126473718) is 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2cccc(COC)c2)nc1NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is IBOGQWMTNFTNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-19(23)16-8-9-17(22-18(16)21-11-13-6-7-13)15-5-3-4-14(10-15)12-24-2/h3-5,8-10,13H,6-7,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide?
2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-6-[3-(methoxymethyl)phenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 126473718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).