(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

C16H25N5O2 — CID 166292613

IUPAC(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccncc1N(C)C
InChIInChI=1S/C16H25N5O2/c1-11(2)18-15(22)13-6-5-9-21(13)16(23)19-12-7-8-17-10-14(12)20(3)4/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,22)(H,17,19,23)/t13-/m1/s1
InChIKeySUIJMTWQHPZFMM-CYBMUJFWSA-N
MW319.41 g/mol
LogP1.67
Rot. Bonds4

About (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 166292613) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID166292613
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccncc1N(C)C
InChIInChI=1S/C16H25N5O2/c1-11(2)18-15(22)13-6-5-9-21(13)16(23)19-12-7-8-17-10-14(12)20(3)4/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,22)(H,17,19,23)/t13-/m1/s1
InChIKeySUIJMTWQHPZFMM-CYBMUJFWSA-N
XLogP1.67
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 1443259
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
N-(3-nitro-4-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 84599457
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
4-methyl-3-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 120522342
(2S)-2-N-benzhydryl-1-N-(1-methylindol-3-yl)pyrrolidine-1,2-dicarboxamide
CID 122164804
N-[1-[4-(3-chloro-4-pyridinyl)phenyl]ethyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 170955551

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 166292613) is (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is CC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccncc1N(C)C.
What is the InChIKey of (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is SUIJMTWQHPZFMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)18-15(22)13-6-5-9-21(13)16(23)19-12-7-8-17-10-14(12)20(3)4/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,22)(H,17,19,23)/t13-/m1/s1.
What are the key properties of (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 166292613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).