2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H20N6O2 — CID 95138569

IUPAC2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1
InChIInChI=1S/C17H20N6O2/c1-12-6-16(22-25-12)21-17(24)11-23-5-4-14(10-23)9-20-15-3-2-13(7-18)8-19-15/h2-3,6,8,14H,4-5,9-11H2,1H3,(H,19,20)(H,21,22,24)/t14-/m0/s1
InChIKeyNDVGBSBKBDFSOY-AWEZNQCLSA-N
MW340.39 g/mol
LogP1.62
Rot. Bonds6

About 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 95138569) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID95138569
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1
InChIInChI=1S/C17H20N6O2/c1-12-6-16(22-25-12)21-17(24)11-23-5-4-14(10-23)9-20-15-3-2-13(7-18)8-19-15/h2-3,6,8,14H,4-5,9-11H2,1H3,(H,19,20)(H,21,22,24)/t14-/m0/s1
InChIKeyNDVGBSBKBDFSOY-AWEZNQCLSA-N
XLogP1.62
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95154585
6-[[(3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145221
6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95141983
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71872563
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
3-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95142462
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773779
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 95138569) is 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1.
What is the InChIKey of 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NDVGBSBKBDFSOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-6-16(22-25-12)21-17(24)11-23-5-4-14(10-23)9-20-15-3-2-13(7-18)8-19-15/h2-3,6,8,14H,4-5,9-11H2,1H3,(H,19,20)(H,21,22,24)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 95138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).