4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

C20H27N3O2 — CID 109211971

IUPAC4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccnc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C20H27N3O2/c1-4-12-23(13-5-2)17-10-11-21-18(14-17)20(24)22-15-16-8-6-7-9-19(16)25-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,24)
InChIKeyHTGNLEWHMPQPNX-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.65
Rot. Bonds9

About 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211971) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109211971
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccnc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C20H27N3O2/c1-4-12-23(13-5-2)17-10-11-21-18(14-17)20(24)22-15-16-8-6-7-9-19(16)25-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,24)
InChIKeyHTGNLEWHMPQPNX-UHFFFAOYSA-N
XLogP3.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
4-N-[(2-methoxyphenyl)methyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086804
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109211971) is 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is CCCN(CCC)c1ccnc(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HTGNLEWHMPQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-12-23(13-5-2)17-10-11-21-18(14-17)20(24)22-15-16-8-6-7-9-19(16)25-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,24).
What are the key properties of 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).