4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C19H21N3O3 — CID 51077542

IUPAC4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21N3O3/c1-25-18-16(3-2-10-20-18)13-21-19(24)22-11-8-15(9-12-22)14-4-6-17(23)7-5-14/h2-8,10,23H,9,11-13H2,1H3,(H,21,24)
InChIKeyCYCMYGFBNAOAER-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds4

About 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 51077542) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID51077542
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21N3O3/c1-25-18-16(3-2-10-20-18)13-21-19(24)22-11-8-15(9-12-22)14-4-6-17(23)7-5-14/h2-8,10,23H,9,11-13H2,1H3,(H,21,24)
InChIKeyCYCMYGFBNAOAER-UHFFFAOYSA-N
XLogP2.79
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 38882796
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxy-3-pyridinyl)-2-oxoacetamide
CID 75526158
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 71893273
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
methyl 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethyl-4-oxobutanoate
CID 119052112
N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 51084353
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 51077542) is 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ncccc1CNC(=O)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is CYCMYGFBNAOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-18-16(3-2-10-20-18)13-21-19(24)22-11-8-15(9-12-22)14-4-6-17(23)7-5-14/h2-8,10,23H,9,11-13H2,1H3,(H,21,24).
What are the key properties of 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 51077542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).