(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide

C18H26N4O2 — CID 95338435

IUPAC(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccccn1
InChIInChI=1S/C18H26N4O2/c1-21(2)18(24)16-8-5-13-22(16)14-6-12-20-17(23)10-9-15-7-3-4-11-19-15/h3-4,7,9-11,16H,5-6,8,12-14H2,1-2H3,(H,20,23)/b10-9+/t16-/m1/s1
InChIKeyLMXZZVUXUYWMGG-ZNFPLGDCSA-N
MW330.43 g/mol
LogP1.15
Rot. Bonds7

About (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide

(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide (PubChem CID 95338435) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
PubChem CID95338435
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccccn1
InChIInChI=1S/C18H26N4O2/c1-21(2)18(24)16-8-5-13-22(16)14-6-12-20-17(23)10-9-15-7-3-4-11-19-15/h3-4,7,9-11,16H,5-6,8,12-14H2,1-2H3,(H,20,23)/b10-9+/t16-/m1/s1
InChIKeyLMXZZVUXUYWMGG-ZNFPLGDCSA-N
XLogP1.15
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-1-[3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481387
(2S)-N,N-dimethyl-1-[3-[[(Z)-3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481402
(2R)-N,N-dimethyl-1-[3-[[(E)-3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95330690
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
1-[3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110970195
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
N,N-dimethyl-1-[3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide;hydroiodide
CID 111198565
N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
CID 95302588
1-[3-[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 111900947

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide (CID 95338435) is (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccccn1.
What is the InChIKey of (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide?
The InChIKey is LMXZZVUXUYWMGG-ZNFPLGDCSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(2)18(24)16-8-5-13-22(16)14-6-12-20-17(23)10-9-15-7-3-4-11-19-15/h3-4,7,9-11,16H,5-6,8,12-14H2,1-2H3,(H,20,23)/b10-9+/t16-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide?
(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95338435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).