trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide

C29H35N3O3 — CID 147886371

IUPACtrans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cc2ccccc2cc1C[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C(=O)CCc2ccc(N)nc2C)C1
InChIInChI=1S/C29H35N3O3/c1-18-21(11-13-28(30)31-18)10-12-26(33)19(2)32-29(34)24-9-8-20(14-24)15-25-16-22-6-4-5-7-23(22)17-27(25)35-3/h4-7,11,13,16-17,19-20,24H,8-10,12,14-15H2,1-3H3,(H2,30,31)(H,32,34)/t19-,20+,24+/m0/s1
InChIKeyIBKKPTUJXHOOSR-DCLXLUIPSA-N
MW473.62 g/mol
LogP4.80
Rot. Bonds9

About trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide

trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 147886371) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID147886371
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Nametrans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cc2ccccc2cc1C[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C(=O)CCc2ccc(N)nc2C)C1
InChIInChI=1S/C29H35N3O3/c1-18-21(11-13-28(30)31-18)10-12-26(33)19(2)32-29(34)24-9-8-20(14-24)15-25-16-22-6-4-5-7-23(22)17-27(25)35-3/h4-7,11,13,16-17,19-20,24H,8-10,12,14-15H2,1-3H3,(H2,30,31)(H,32,34)/t19-,20+,24+/m0/s1
InChIKeyIBKKPTUJXHOOSR-DCLXLUIPSA-N
XLogP4.80
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide (CID 147886371) is trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide is COc1cc2ccccc2cc1C[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C(=O)CCc2ccc(N)nc2C)C1.
What is the InChIKey of trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is IBKKPTUJXHOOSR-DCLXLUIPSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-18-21(11-13-28(30)31-18)10-12-26(33)19(2)32-29(34)24-9-8-20(14-24)15-25-16-22-6-4-5-7-23(22)17-27(25)35-3/h4-7,11,13,16-17,19-20,24H,8-10,12,14-15H2,1-3H3,(H2,30,31)(H,32,34)/t19-,20+,24+/m0/s1.
What are the key properties of trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide?
trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 147886371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).