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

C20H23N5O — CID 95144802

IUPACN-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESN#Cc1cccnc1NC[C@@H]1CCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c21-11-18-7-4-9-22-20(18)24-13-17-8-10-25(14-17)15-19(26)23-12-16-5-2-1-3-6-16/h1-7,9,17H,8,10,12-15H2,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKeyNJNNXTYDPFNQML-KRWDZBQOSA-N
MW349.44 g/mol
LogP2.00
Rot. Bonds7

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

N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 95144802) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
PubChem CID95144802
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESN#Cc1cccnc1NC[C@@H]1CCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c21-11-18-7-4-9-22-20(18)24-13-17-8-10-25(14-17)15-19(26)23-12-16-5-2-1-3-6-16/h1-7,9,17H,8,10,12-15H2,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKeyNJNNXTYDPFNQML-KRWDZBQOSA-N
XLogP2.00
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide with MolForge

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Related Compounds

2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95145608
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145917
2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95142455
N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773779
2-[[(3S)-1-[(2-oxo-3H-1-benzofuran-6-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95143506
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 167856093

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide (CID 95144802) is N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide is N#Cc1cccnc1NC[C@@H]1CCN(CC(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is NJNNXTYDPFNQML-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c21-11-18-7-4-9-22-20(18)24-13-17-8-10-25(14-17)15-19(26)23-12-16-5-2-1-3-6-16/h1-7,9,17H,8,10,12-15H2,(H,22,24)(H,23,26)/t17-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95144802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).