N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide

C19H21FN2O — CID 126431971

IUPACN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cncc(F)c1
InChIInChI=1S/C19H21FN2O/c1-18(2)12-19(18,15-7-5-4-6-8-15)13-22(3)17(23)14-9-16(20)11-21-10-14/h4-11H,12-13H2,1-3H3/t19-/m0/s1
InChIKeyVTLNCTMMHJRDKJ-IBGZPJMESA-N
MW312.39 g/mol
LogP3.66
Rot. Bonds4

About N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 126431971) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID126431971
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cncc(F)c1
InChIInChI=1S/C19H21FN2O/c1-18(2)12-19(18,15-7-5-4-6-8-15)13-22(3)17(23)14-9-16(20)11-21-10-14/h4-11H,12-13H2,1-3H3/t19-/m0/s1
InChIKeyVTLNCTMMHJRDKJ-IBGZPJMESA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125161588
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 115736836
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide
CID 118783858
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide (CID 126431971) is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide is CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cncc(F)c1.
What is the InChIKey of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is VTLNCTMMHJRDKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21FN2O/c1-18(2)12-19(18,15-7-5-4-6-8-15)13-22(3)17(23)14-9-16(20)11-21-10-14/h4-11H,12-13H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide?
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 126431971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).