trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C20H18N2O — CID 97084371

IUPACtrans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C20H18N2O/c23-20(22-13-14-8-10-21-11-9-14)19-12-18(19)17-7-3-5-15-4-1-2-6-16(15)17/h1-11,18-19H,12-13H2,(H,22,23)/t18-,19+/m0/s1
InChIKeyBSDZZDIITXMLDZ-RBUKOAKNSA-N
MW302.38 g/mol
LogP3.65
Rot. Bonds4

About trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 97084371) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID97084371
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Nametrans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C20H18N2O/c23-20(22-13-14-8-10-21-11-9-14)19-12-18(19)17-7-3-5-15-4-1-2-6-16(15)17/h1-11,18-19H,12-13H2,(H,22,23)/t18-,19+/m0/s1
InChIKeyBSDZZDIITXMLDZ-RBUKOAKNSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
2-naphthalen-1-yl-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide
CID 71932261
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137322
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 71932285

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 97084371) is trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccncc1)[C@@H]1C[C@H]1c1cccc2ccccc12.
What is the InChIKey of trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is BSDZZDIITXMLDZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20(22-13-14-8-10-21-11-9-14)19-12-18(19)17-7-3-5-15-4-1-2-6-16(15)17/h1-11,18-19H,12-13H2,(H,22,23)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97084371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).