(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide

C16H22N6O2 — CID 95764501

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)NC[C@@H]2CCCN2c2cccnn2)no1
InChIInChI=1S/C16H22N6O2/c1-11-9-14(21-24-11)19-16(23)12(2)17-10-13-5-4-8-22(13)15-6-3-7-18-20-15/h3,6-7,9,12-13,17H,4-5,8,10H2,1-2H3,(H,19,21,23)/t12-,13+/m1/s1
InChIKeyAUJVLYNIIYEZTC-OLZOCXBDSA-N
MW330.39 g/mol
LogP1.36
Rot. Bonds6

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide (PubChem CID 95764501) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
PubChem CID95764501
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)NC[C@@H]2CCCN2c2cccnn2)no1
InChIInChI=1S/C16H22N6O2/c1-11-9-14(21-24-11)19-16(23)12(2)17-10-13-5-4-8-22(13)15-6-3-7-18-20-15/h3,6-7,9,12-13,17H,4-5,8,10H2,1-2H3,(H,19,21,23)/t12-,13+/m1/s1
InChIKeyAUJVLYNIIYEZTC-OLZOCXBDSA-N
XLogP1.36
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide 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-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 166180673
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 100858546
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512596
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447803
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
6-(2-ethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109125855
N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
CID 56778190
(2S,4S)-2-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120637035
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
CID 86894674

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide (CID 95764501) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide is Cc1cc(NC(=O)[C@@H](C)NC[C@@H]2CCCN2c2cccnn2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide?
The InChIKey is AUJVLYNIIYEZTC-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-9-14(21-24-11)19-16(23)12(2)17-10-13-5-4-8-22(13)15-6-3-7-18-20-15/h3,6-7,9,12-13,17H,4-5,8,10H2,1-2H3,(H,19,21,23)/t12-,13+/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide is sourced from PubChem (CID 95764501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).