1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide

C17H16FN3O2 — CID 99958111

IUPAC1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16FN3O2/c18-13-3-1-11(2-4-13)14(12-5-9-20-10-6-12)21-16(23)17(7-8-17)15(19)22/h1-6,9-10,14H,7-8H2,(H2,19,22)(H,21,23)/t14-/m1/s1
InChIKeyMNWOEISCYPYEFE-CQSZACIVSA-N
MW313.33 g/mol
LogP1.69
Rot. Bonds5

About 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide

1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 99958111) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
PubChem CID99958111
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16FN3O2/c18-13-3-1-11(2-4-13)14(12-5-9-20-10-6-12)21-16(23)17(7-8-17)15(19)22/h1-6,9-10,14H,7-8H2,(H2,19,22)(H,21,23)/t14-/m1/s1
InChIKeyMNWOEISCYPYEFE-CQSZACIVSA-N
XLogP1.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
CID 97140868
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 126425910
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 126441326
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
CID 126424698
1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 91791956
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide (CID 99958111) is 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MNWOEISCYPYEFE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-13-3-1-11(2-4-13)14(12-5-9-20-10-6-12)21-16(23)17(7-8-17)15(19)22/h1-6,9-10,14H,7-8H2,(H2,19,22)(H,21,23)/t14-/m1/s1.
What are the key properties of 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide?
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 313.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 99958111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).