2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene

C31H39N5O3 — CID 145269161

IUPAC2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
SMILESCN1CCC(NC(=O)c2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1.c1ccc(COC2CCCC2)cc1
InChIInChI=1S/C19H23N5O2.C12H16O/c1-24-7-5-15(6-8-24)23-19(26)13-4-2-3-12(9-13)14-10-16(18(21)25)17(20)22-11-14;1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h2-4,9-11,15H,5-8H2,1H3,(H2,20,22)(H2,21,25)(H,23,26);1-3,6-7,12H,4-5,8-10H2
InChIKeyHOZIRXDJCSJVKZ-UHFFFAOYSA-N
MW529.69 g/mol
LogP4.40
Rot. Bonds7

About 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene

2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene (PubChem CID 145269161) has the molecular formula C31H39N5O3 and a molecular weight of 529.69 g/mol. Its IUPAC name is 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene.

Molecular Properties

Compound Name2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
PubChem CID145269161
Molecular FormulaC31H39N5O3
Molecular Weight529.69 g/mol
Exact Mass529.31
IUPAC Name2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
SMILESCN1CCC(NC(=O)c2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1.c1ccc(COC2CCCC2)cc1
InChIInChI=1S/C19H23N5O2.C12H16O/c1-24-7-5-15(6-8-24)23-19(26)13-4-2-3-12(9-13)14-10-16(18(21)25)17(20)22-11-14;1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h2-4,9-11,15H,5-8H2,1H3,(H2,20,22)(H2,21,25)(H,23,26);1-3,6-7,12H,4-5,8-10H2
InChIKeyHOZIRXDJCSJVKZ-UHFFFAOYSA-N
XLogP4.40
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.69
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269484
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-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392
cyclopentyloxymethylbenzene;2-(ethylamino)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 145269284
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269532
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[3-[3-(pyrazol-1-ylmethyl)phenyl]benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326131

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene?
The IUPAC name of 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene (CID 145269161) is 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene.
What is the SMILES notation for 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene?
The canonical SMILES for 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene is CN1CCC(NC(=O)c2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1.c1ccc(COC2CCCC2)cc1.
What is the InChIKey of 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene?
The InChIKey is HOZIRXDJCSJVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.C12H16O/c1-24-7-5-15(6-8-24)23-19(26)13-4-2-3-12(9-13)14-10-16(18(21)25)17(20)22-11-14;1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h2-4,9-11,15H,5-8H2,1H3,(H2,20,22)(H2,21,25)(H,23,26);1-3,6-7,12H,4-5,8-10H2.
What are the key properties of 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene?
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene has a molecular weight of 529.69 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene is sourced from PubChem (CID 145269161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).