N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide

C19H22FN3O2 — CID 124742373

IUPACN-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccncc1F
InChIInChI=1S/C19H22FN3O2/c20-18-12-21-8-7-17(18)19(24)22-11-16-14-23(9-4-10-25-16)13-15-5-2-1-3-6-15/h1-3,5-8,12,16H,4,9-11,13-14H2,(H,22,24)/t16-/m1/s1
InChIKeyXUIDVACJKZSRNE-MRXNPFEDSA-N
MW343.40 g/mol
LogP2.24
Rot. Bonds5

About N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide

N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 124742373) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide
PubChem CID124742373
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccncc1F
InChIInChI=1S/C19H22FN3O2/c20-18-12-21-8-7-17(18)19(24)22-11-16-14-23(9-4-10-25-16)13-15-5-2-1-3-6-15/h1-3,5-8,12,16H,4,9-11,13-14H2,(H,22,24)/t16-/m1/s1
InChIKeyXUIDVACJKZSRNE-MRXNPFEDSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24640664
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide (CID 124742373) is N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide is O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccncc1F.
What is the InChIKey of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is XUIDVACJKZSRNE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-18-12-21-8-7-17(18)19(24)22-11-16-14-23(9-4-10-25-16)13-15-5-2-1-3-6-15/h1-3,5-8,12,16H,4,9-11,13-14H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide?
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 124742373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).