N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C25H38N4O2 — CID 162203710

IUPACN-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESNc1ccc(CNC(=O)[C@H](CC2CCCC3CCCCC32)NC(=O)C2CCCC2)cn1
InChIInChI=1S/C25H38N4O2/c26-23-13-12-17(15-27-23)16-28-25(31)22(29-24(30)19-7-1-2-8-19)14-20-10-5-9-18-6-3-4-11-21(18)20/h12-13,15,18-22H,1-11,14,16H2,(H2,26,27)(H,28,31)(H,29,30)/t18?,20?,21?,22-/m0/s1
InChIKeyZRXLRRHWIOZZQW-OUHCFLCTSA-N
MW426.61 g/mol
LogP3.95
Rot. Bonds7

About N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 162203710) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID162203710
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC NameN-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESNc1ccc(CNC(=O)[C@H](CC2CCCC3CCCCC32)NC(=O)C2CCCC2)cn1
InChIInChI=1S/C25H38N4O2/c26-23-13-12-17(15-27-23)16-28-25(31)22(29-24(30)19-7-1-2-8-19)14-20-10-5-9-18-6-3-4-11-21(18)20/h12-13,15,18-22H,1-11,14,16H2,(H2,26,27)(H,28,31)(H,29,30)/t18?,20?,21?,22-/m0/s1
InChIKeyZRXLRRHWIOZZQW-OUHCFLCTSA-N
XLogP3.95
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 162203710) is N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide is Nc1ccc(CNC(=O)[C@H](CC2CCCC3CCCCC32)NC(=O)C2CCCC2)cn1.
What is the InChIKey of N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is ZRXLRRHWIOZZQW-OUHCFLCTSA-N. The full InChI is InChI=1S/C25H38N4O2/c26-23-13-12-17(15-27-23)16-28-25(31)22(29-24(30)19-7-1-2-8-19)14-20-10-5-9-18-6-3-4-11-21(18)20/h12-13,15,18-22H,1-11,14,16H2,(H2,26,27)(H,28,31)(H,29,30)/t18?,20?,21?,22-/m0/s1.
What are the key properties of N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 426.61 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162203710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).