N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide

C27H31N3O2 — CID 143500957

IUPACN-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide
SMILESCNC1CCCC[C@H](Oc2cccc(CNC(=O)c3ccc(-c4ccccc4)cn3)c2)C1
InChIInChI=1S/C27H31N3O2/c1-28-23-11-5-6-12-25(17-23)32-24-13-7-8-20(16-24)18-30-27(31)26-15-14-22(19-29-26)21-9-3-2-4-10-21/h2-4,7-10,13-16,19,23,25,28H,5-6,11-12,17-18H2,1H3,(H,30,31)/t23?,25-/m0/s1
InChIKeyMVZIAKVBWSOGDY-YNMFNDETSA-N
MW429.56 g/mol
LogP4.98
Rot. Bonds7

About N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide

N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide (PubChem CID 143500957) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide
PubChem CID143500957
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide
SMILESCNC1CCCC[C@H](Oc2cccc(CNC(=O)c3ccc(-c4ccccc4)cn3)c2)C1
InChIInChI=1S/C27H31N3O2/c1-28-23-11-5-6-12-25(17-23)32-24-13-7-8-20(16-24)18-30-27(31)26-15-14-22(19-29-26)21-9-3-2-4-10-21/h2-4,7-10,13-16,19,23,25,28H,5-6,11-12,17-18H2,1H3,(H,30,31)/t23?,25-/m0/s1
InChIKeyMVZIAKVBWSOGDY-YNMFNDETSA-N
XLogP4.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide
CID 143500950
N-[[3-[[(2R,4S,6R)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
CID 71177555
N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane
CID 143500931
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500929
N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500933
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide?
The IUPAC name of N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide (CID 143500957) is N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide is CNC1CCCC[C@H](Oc2cccc(CNC(=O)c3ccc(-c4ccccc4)cn3)c2)C1.
What is the InChIKey of N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide?
The InChIKey is MVZIAKVBWSOGDY-YNMFNDETSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-28-23-11-5-6-12-25(17-23)32-24-13-7-8-20(16-24)18-30-27(31)26-15-14-22(19-29-26)21-9-3-2-4-10-21/h2-4,7-10,13-16,19,23,25,28H,5-6,11-12,17-18H2,1H3,(H,30,31)/t23?,25-/m0/s1.
What are the key properties of N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide?
N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide is sourced from PubChem (CID 143500957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).