N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide

C19H19N5O3 — CID 97435007

IUPACN-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide
SMILESNCc1cc(NC(=O)c2ccccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1
InChIInChI=1S/C19H19N5O3/c20-10-12-7-14(19-23-17(24-27-19)13-4-6-26-11-13)9-15(8-12)22-18(25)16-3-1-2-5-21-16/h1-3,5,7-9,13H,4,6,10-11,20H2,(H,22,25)/t13-/m1/s1
InChIKeyRTVNKNXVCBXTOI-CYBMUJFWSA-N
MW365.39 g/mol
LogP2.35
Rot. Bonds5

About N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide

N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide (PubChem CID 97435007) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide
PubChem CID97435007
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide
SMILESNCc1cc(NC(=O)c2ccccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1
InChIInChI=1S/C19H19N5O3/c20-10-12-7-14(19-23-17(24-27-19)13-4-6-26-11-13)9-15(8-12)22-18(25)16-3-1-2-5-21-16/h1-3,5,7-9,13H,4,6,10-11,20H2,(H,22,25)/t13-/m1/s1
InChIKeyRTVNKNXVCBXTOI-CYBMUJFWSA-N
XLogP2.35
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]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-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824
N,N-dimethyl-1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 72892117
N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 97444607
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 97438197
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide (CID 97435007) is N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide is NCc1cc(NC(=O)c2ccccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is RTVNKNXVCBXTOI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N5O3/c20-10-12-7-14(19-23-17(24-27-19)13-4-6-26-11-13)9-15(8-12)22-18(25)16-3-1-2-5-21-16/h1-3,5,7-9,13H,4,6,10-11,20H2,(H,22,25)/t13-/m1/s1.
What are the key properties of N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide?
N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 97435007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).