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

C21H24FN3O2 — CID 162682695

IUPACN-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1(Cc2cccc(F)c2)CC1)c1cc(N2CCC[C@H](O)C2)ccn1
InChIInChI=1S/C21H24FN3O2/c22-16-4-1-3-15(11-16)13-21(7-8-21)24-20(27)19-12-17(6-9-23-19)25-10-2-5-18(26)14-25/h1,3-4,6,9,11-12,18,26H,2,5,7-8,10,13-14H2,(H,24,27)/t18-/m0/s1
InChIKeyPYAHXMNTONUWCB-SFHVURJKSA-N
MW369.44 g/mol
LogP2.69
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide (PubChem CID 162682695) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
PubChem CID162682695
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1(Cc2cccc(F)c2)CC1)c1cc(N2CCC[C@H](O)C2)ccn1
InChIInChI=1S/C21H24FN3O2/c22-16-4-1-3-15(11-16)13-21(7-8-21)24-20(27)19-12-17(6-9-23-19)25-10-2-5-18(26)14-25/h1,3-4,6,9,11-12,18,26H,2,5,7-8,10,13-14H2,(H,24,27)/t18-/m0/s1
InChIKeyPYAHXMNTONUWCB-SFHVURJKSA-N
XLogP2.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 162682814
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
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-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682920
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
CID 166418624
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682810
(3S)-1-[2-[(7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]piperidin-3-ol
CID 176995802
N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
CID 170994125
4-[(3R,5S)-3-hydroxy-5-methylpiperidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682713

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide (CID 162682695) is N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide is O=C(NC1(Cc2cccc(F)c2)CC1)c1cc(N2CCC[C@H](O)C2)ccn1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is PYAHXMNTONUWCB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-16-4-1-3-15(11-16)13-21(7-8-21)24-20(27)19-12-17(6-9-23-19)25-10-2-5-18(26)14-25/h1,3-4,6,9,11-12,18,26H,2,5,7-8,10,13-14H2,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162682695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).