(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide

C19H21N5O — CID 95138592

IUPAC(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide
SMILESN#Cc1ccc(NC[C@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)nc1
InChIInChI=1S/C19H21N5O/c20-10-14-6-7-17(22-11-14)23-12-15-8-9-24(13-15)18(19(21)25)16-4-2-1-3-5-16/h1-7,11,15,18H,8-9,12-13H2,(H2,21,25)(H,22,23)/t15-,18+/m1/s1
InChIKeyWOPQUJYETFLUSF-QAPCUYQASA-N
MW335.41 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide

(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 95138592) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide
PubChem CID95138592
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide
SMILESN#Cc1ccc(NC[C@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)nc1
InChIInChI=1S/C19H21N5O/c20-10-14-6-7-17(22-11-14)23-12-15-8-9-24(13-15)18(19(21)25)16-4-2-1-3-5-16/h1-7,11,15,18H,8-9,12-13H2,(H2,21,25)(H,22,23)/t15-,18+/m1/s1
InChIKeyWOPQUJYETFLUSF-QAPCUYQASA-N
XLogP1.91
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide 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

6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95141983
3-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95142462
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761
6-[[(3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145221
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95138569
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide
CID 68965090
ethyl 3-[(5-cyano-2-pyridinyl)amino]-2-phenylpropanoate
CID 133323508
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide (CID 95138592) is (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide is N#Cc1ccc(NC[C@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)nc1.
What is the InChIKey of (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is WOPQUJYETFLUSF-QAPCUYQASA-N. The full InChI is InChI=1S/C19H21N5O/c20-10-14-6-7-17(22-11-14)23-12-15-8-9-24(13-15)18(19(21)25)16-4-2-1-3-5-16/h1-7,11,15,18H,8-9,12-13H2,(H2,21,25)(H,22,23)/t15-,18+/m1/s1.
What are the key properties of (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide?
(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 335.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 95138592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).