N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide

C21H25N3O2 — CID 167761492

IUPACN-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(OCc2ccccc2)ccn1)C1=CCN(C)CC1
InChIInChI=1S/C21H25N3O2/c1-16(18-9-12-24(2)13-10-18)23-21(25)20-14-19(8-11-22-20)26-15-17-6-4-3-5-7-17/h3-9,11,14,16H,10,12-13,15H2,1-2H3,(H,23,25)
InChIKeyQLSZHDJCWJGKAP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide

N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide (PubChem CID 167761492) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide
PubChem CID167761492
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(OCc2ccccc2)ccn1)C1=CCN(C)CC1
InChIInChI=1S/C21H25N3O2/c1-16(18-9-12-24(2)13-10-18)23-21(25)20-14-19(8-11-22-20)26-15-17-6-4-3-5-7-17/h3-9,11,14,16H,10,12-13,15H2,1-2H3,(H,23,25)
InChIKeyQLSZHDJCWJGKAP-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
(E)-3-amino-2-(4-phenylmethoxy-2-pyridinyl)but-2-enoic acid
CID 170603679
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
4-methoxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-2-carboxamide
CID 166208501
4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
CID 70159916
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide (CID 167761492) is N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide is CC(NC(=O)c1cc(OCc2ccccc2)ccn1)C1=CCN(C)CC1.
What is the InChIKey of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide?
The InChIKey is QLSZHDJCWJGKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(18-9-12-24(2)13-10-18)23-21(25)20-14-19(8-11-22-20)26-15-17-6-4-3-5-7-17/h3-9,11,14,16H,10,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide?
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 167761492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).