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

C18H21N5O2 — CID 95145608

IUPAC2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESN#Cc1cccnc1NC[C@@H]1CCN(CC(=O)NCc2ccco2)C1
InChIInChI=1S/C18H21N5O2/c19-9-15-3-1-6-20-18(15)22-10-14-5-7-23(12-14)13-17(24)21-11-16-4-2-8-25-16/h1-4,6,8,14H,5,7,10-13H2,(H,20,22)(H,21,24)/t14-/m0/s1
InChIKeyNYSQGPNINOPACK-AWEZNQCLSA-N
MW339.40 g/mol
LogP1.60
Rot. Bonds7

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

2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 95145608) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID95145608
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESN#Cc1cccnc1NC[C@@H]1CCN(CC(=O)NCc2ccco2)C1
InChIInChI=1S/C18H21N5O2/c19-9-15-3-1-6-20-18(15)22-10-14-5-7-23(12-14)13-17(24)21-11-16-4-2-8-25-16/h1-4,6,8,14H,5,7,10-13H2,(H,20,22)(H,21,24)/t14-/m0/s1
InChIKeyNYSQGPNINOPACK-AWEZNQCLSA-N
XLogP1.60
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95142455
N-(furan-2-ylmethyl)-2-[4-(phenoxymethyl)piperidin-1-yl]acetamide
CID 60573051
2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145917
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-[[(3S)-1-[(2-oxo-3H-1-benzofuran-6-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95143506
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 95145608) is 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide is N#Cc1cccnc1NC[C@@H]1CCN(CC(=O)NCc2ccco2)C1.
What is the InChIKey of 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NYSQGPNINOPACK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-9-15-3-1-6-20-18(15)22-10-14-5-7-23(12-14)13-17(24)21-11-16-4-2-8-25-16/h1-4,6,8,14H,5,7,10-13H2,(H,20,22)(H,21,24)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 95145608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).