N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide

C20H22FN3O2 — CID 162682814

IUPACN-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1(Cc2ccccc2F)CC1)c1cc(N2CC[C@H](O)C2)ccn1
InChIInChI=1S/C20H22FN3O2/c21-17-4-2-1-3-14(17)12-20(7-8-20)23-19(26)18-11-15(5-9-22-18)24-10-6-16(25)13-24/h1-5,9,11,16,25H,6-8,10,12-13H2,(H,23,26)/t16-/m0/s1
InChIKeyTVHFDTLJVGTUJF-INIZCTEOSA-N
MW355.41 g/mol
LogP2.30
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide

N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 162682814) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID162682814
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1(Cc2ccccc2F)CC1)c1cc(N2CC[C@H](O)C2)ccn1
InChIInChI=1S/C20H22FN3O2/c21-17-4-2-1-3-14(17)12-20(7-8-20)23-19(26)18-11-15(5-9-22-18)24-10-6-16(25)13-24/h1-5,9,11,16,25H,6-8,10,12-13H2,(H,23,26)/t16-/m0/s1
InChIKeyTVHFDTLJVGTUJF-INIZCTEOSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682920
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682747
4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1R,2S)-2-methyl-2-phenylcyclopropyl]pyridine-2-carboxamide
CID 162682717
4-[(3R,5S)-3-hydroxy-5-methylpiperidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682713
N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 162682953
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682810
4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
N-[1-(2,3-dihydro-1-benzofuran-7-ylmethyl)cyclopropyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 162682793
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide (CID 162682814) is N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide is O=C(NC1(Cc2ccccc2F)CC1)c1cc(N2CC[C@H](O)C2)ccn1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is TVHFDTLJVGTUJF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-4-2-1-3-14(17)12-20(7-8-20)23-19(26)18-11-15(5-9-22-18)24-10-6-16(25)13-24/h1-5,9,11,16,25H,6-8,10,12-13H2,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.30, 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]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).