N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide

C18H20FN3O2 — CID 56709536

IUPACN-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)C1)c1ncccc1O
InChIInChI=1S/C18H20FN3O2/c19-15-5-2-1-4-14(15)12-22-9-7-13(11-22)10-21-18(24)17-16(23)6-3-8-20-17/h1-6,8,13,23H,7,9-12H2,(H,21,24)
InChIKeyDNBCLNUWNIGCAR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide

N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 56709536) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
PubChem CID56709536
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)C1)c1ncccc1O
InChIInChI=1S/C18H20FN3O2/c19-15-5-2-1-4-14(15)12-22-9-7-13(11-22)10-21-18(24)17-16(23)6-3-8-20-17/h1-6,8,13,23H,7,9-12H2,(H,21,24)
InChIKeyDNBCLNUWNIGCAR-UHFFFAOYSA-N
XLogP2.18
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 53032674
3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95199898
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95194083

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide (CID 56709536) is N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide is O=C(NCC1CCN(Cc2ccccc2F)C1)c1ncccc1O.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is DNBCLNUWNIGCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-5-2-1-4-14(15)12-22-9-7-13(11-22)10-21-18(24)17-16(23)6-3-8-20-17/h1-6,8,13,23H,7,9-12H2,(H,21,24).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 56709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).