N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide

C25H27N3O2 — CID 72703689

IUPACN-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1
InChIInChI=1S/C25H27N3O2/c29-24(19-8-2-1-3-9-19)28-23(25(30)27-21-13-15-26-16-14-21)17-20-11-6-10-18-7-4-5-12-22(18)20/h4-7,10-16,19,23H,1-3,8-9,17H2,(H,28,29)(H,26,27,30)/t23-/m0/s1
InChIKeyQQWJNBNFBWBZBF-QHCPKHFHSA-N
MW401.51 g/mol
LogP4.48
Rot. Bonds6

About N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide

N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide (PubChem CID 72703689) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
PubChem CID72703689
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1
InChIInChI=1S/C25H27N3O2/c29-24(19-8-2-1-3-9-19)28-23(25(30)27-21-13-15-26-16-14-21)17-20-11-6-10-18-7-4-5-12-22(18)20/h4-7,10-16,19,23H,1-3,8-9,17H2,(H,28,29)(H,26,27,30)/t23-/m0/s1
InChIKeyQQWJNBNFBWBZBF-QHCPKHFHSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide (CID 72703689) is N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide is O=C(N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1.
What is the InChIKey of N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is QQWJNBNFBWBZBF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-24(19-8-2-1-3-9-19)28-23(25(30)27-21-13-15-26-16-14-21)17-20-11-6-10-18-7-4-5-12-22(18)20/h4-7,10-16,19,23H,1-3,8-9,17H2,(H,28,29)(H,26,27,30)/t23-/m0/s1.
What are the key properties of N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-naphthalen-1-yl-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 72703689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).