cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C24H31N5O2 — CID 145269284

IUPACcyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(-c2cnn(C)c2)cc1C(N)=O.c1ccc(COC2CCCC2)cc1
InChIInChI=1S/C12H15N5O.C12H16O/c1-3-14-12-10(11(13)18)4-8(5-15-12)9-6-16-17(2)7-9;1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h4-7H,3H2,1-2H3,(H2,13,18)(H,14,15);1-3,6-7,12H,4-5,8-10H2
InChIKeyJDBVTIFAIUKEHB-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.16
Rot. Bonds7

About cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 145269284) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Namecyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID145269284
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Namecyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(-c2cnn(C)c2)cc1C(N)=O.c1ccc(COC2CCCC2)cc1
InChIInChI=1S/C12H15N5O.C12H16O/c1-3-14-12-10(11(13)18)4-8(5-15-12)9-6-16-17(2)7-9;1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h4-7H,3H2,1-2H3,(H2,13,18)(H,14,15);1-3,6-7,12H,4-5,8-10H2
InChIKeyJDBVTIFAIUKEHB-UHFFFAOYSA-N
XLogP4.16
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176
(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 126644031
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
cyclobutyloxymethylbenzene;1-methylpyrazole-4-carboxylic acid
CID 169144832
benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate
CID 126671430
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
CID 145269161
2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644590
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236
2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654155
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
CID 170995437
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
CID 163832924
benzyl 3-(1-methylpyrazol-4-yl)cyclohex-2-ene-1-carboxylate
CID 156779866

Frequently Asked Questions

What is the IUPAC name of cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 145269284) is cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CCNc1ncc(-c2cnn(C)c2)cc1C(N)=O.c1ccc(COC2CCCC2)cc1.
What is the InChIKey of cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is JDBVTIFAIUKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.C12H16O/c1-3-14-12-10(11(13)18)4-8(5-15-12)9-6-16-17(2)7-9;1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h4-7H,3H2,1-2H3,(H2,13,18)(H,14,15);1-3,6-7,12H,4-5,8-10H2.
What are the key properties of cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 145269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).