2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

C17H19FN4O2 — CID 155351685

IUPAC2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCC1=NC(C)=C(OCC2CC2C(=O)Nc2ccc(F)cn2)C=NC1
InChIInChI=1S/C17H19FN4O2/c1-10-6-19-8-15(11(2)21-10)24-9-12-5-14(12)17(23)22-16-4-3-13(18)7-20-16/h3-4,7-8,12,14H,5-6,9H2,1-2H3,(H,20,22,23)
InChIKeySJLAPXWMDQSKOV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.59
Rot. Bonds5

About 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 155351685) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID155351685
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCC1=NC(C)=C(OCC2CC2C(=O)Nc2ccc(F)cn2)C=NC1
InChIInChI=1S/C17H19FN4O2/c1-10-6-19-8-15(11(2)21-10)24-9-12-5-14(12)17(23)22-16-4-3-13(18)7-20-16/h3-4,7-8,12,14H,5-6,9H2,1-2H3,(H,20,22,23)
InChIKeySJLAPXWMDQSKOV-UHFFFAOYSA-N
XLogP2.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 151803329
4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 114429180
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
CID 126770682
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
N-(5-fluoro-2-pyridinyl)morpholine-2-carboxamide
CID 65480472
ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate
CID 68893767
cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide
CID 125471412
cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 162477281

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (CID 155351685) is 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is CC1=NC(C)=C(OCC2CC2C(=O)Nc2ccc(F)cn2)C=NC1.
What is the InChIKey of 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is SJLAPXWMDQSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-10-6-19-8-15(11(2)21-10)24-9-12-5-14(12)17(23)22-16-4-3-13(18)7-20-16/h3-4,7-8,12,14H,5-6,9H2,1-2H3,(H,20,22,23).
What are the key properties of 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 155351685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).