N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide

C28H37N3O2 — CID 76680712

IUPACN-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cn1)C1CCc2cc(CNCC3CCCC3)ccc2C1
InChIInChI=1S/C28H37N3O2/c1-31(28(32)27-13-12-26(18-30-27)33-19-21-6-7-21)25-11-10-23-14-22(8-9-24(23)15-25)17-29-16-20-4-2-3-5-20/h8-9,12-14,18,20-21,25,29H,2-7,10-11,15-17,19H2,1H3
InChIKeyOKGNSGZXQYWIFY-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.78
Rot. Bonds9

About N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide

N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide (PubChem CID 76680712) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide
PubChem CID76680712
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cn1)C1CCc2cc(CNCC3CCCC3)ccc2C1
InChIInChI=1S/C28H37N3O2/c1-31(28(32)27-13-12-26(18-30-27)33-19-21-6-7-21)25-11-10-23-14-22(8-9-24(23)15-25)17-29-16-20-4-2-3-5-20/h8-9,12-14,18,20-21,25,29H,2-7,10-11,15-17,19H2,1H3
InChIKeyOKGNSGZXQYWIFY-UHFFFAOYSA-N
XLogP4.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(2S)-6-[(oxan-4-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-propoxypyridine-2-carboxamide
CID 58054852
N-[(2R)-5-[(cyclopentylmethylamino)methyl]-2,3-dihydro-1H-inden-2-yl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 58062327
4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680744
4-(cyclopropylmethoxy)-N-[(2S)-6-[(2-ethoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 58054894
4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054866
tert-butyl 2-[(6S)-6-[[5-(cyclopropylmethoxy)pyridine-2-carbonyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]pyrrole-1-carboxylate
CID 66664055
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 46869341
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062340
4-(cyclopropylmethoxy)-N-methyl-N-[5-[[(1-methylcyclopropyl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
CID 76682576
4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 46869275
5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide
CID 76682548

Frequently Asked Questions

What is the IUPAC name of N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide (CID 76680712) is N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(OCC2CC2)cn1)C1CCc2cc(CNCC3CCCC3)ccc2C1.
What is the InChIKey of N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide?
The InChIKey is OKGNSGZXQYWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-31(28(32)27-13-12-26(18-30-27)33-19-21-6-7-21)25-11-10-23-14-22(8-9-24(23)15-25)17-29-16-20-4-2-3-5-20/h8-9,12-14,18,20-21,25,29H,2-7,10-11,15-17,19H2,1H3.
What are the key properties of N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide?
N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide has a molecular weight of 447.62 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 76680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).