(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide

C16H21N5O2 — CID 129339458

IUPAC(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
SMILESCN(Cc1ncccn1)[C@@H]1CCN(C(=O)NCc2ccoc2)C1
InChIInChI=1S/C16H21N5O2/c1-20(11-15-17-5-2-6-18-15)14-3-7-21(10-14)16(22)19-9-13-4-8-23-12-13/h2,4-6,8,12,14H,3,7,9-11H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyOQQVGQNZTFVFKU-CQSZACIVSA-N
MW315.38 g/mol
LogP1.49
Rot. Bonds5

About (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide

(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide (PubChem CID 129339458) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
PubChem CID129339458
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
SMILESCN(Cc1ncccn1)[C@@H]1CCN(C(=O)NCc2ccoc2)C1
InChIInChI=1S/C16H21N5O2/c1-20(11-15-17-5-2-6-18-15)14-3-7-21(10-14)16(22)19-9-13-4-8-23-12-13/h2,4-6,8,12,14H,3,7,9-11H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyOQQVGQNZTFVFKU-CQSZACIVSA-N
XLogP1.49
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
CID 129331074
N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 128999875
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(furan-3-ylmethyl)pyrrolidine-1-carboxamide
CID 137218322
(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129344240
(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477840
1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128999819
(2S)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477697
(2R)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477695
[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone
CID 129477678
3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 128999786
[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 129477332
1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129477756

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide (CID 129339458) is (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide is CN(Cc1ncccn1)[C@@H]1CCN(C(=O)NCc2ccoc2)C1.
What is the InChIKey of (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
The InChIKey is OQQVGQNZTFVFKU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20(11-15-17-5-2-6-18-15)14-3-7-21(10-14)16(22)19-9-13-4-8-23-12-13/h2,4-6,8,12,14H,3,7,9-11H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129339458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).