2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

C21H27N7O2 — CID 166400825

IUPAC2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NC2CCN(C(=O)C3CCN(c4ccncc4)C3)C2)cn1
InChIInChI=1S/C21H27N7O2/c1-26(2)21-23-11-16(12-24-21)19(29)25-17-6-10-28(14-17)20(30)15-5-9-27(13-15)18-3-7-22-8-4-18/h3-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,1-2H3,(H,25,29)
InChIKeyVFTGQILZTCVNGS-UHFFFAOYSA-N
MW409.49 g/mol
LogP0.79
Rot. Bonds5

About 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 166400825) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
PubChem CID166400825
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NC2CCN(C(=O)C3CCN(c4ccncc4)C3)C2)cn1
InChIInChI=1S/C21H27N7O2/c1-26(2)21-23-11-16(12-24-21)19(29)25-17-6-10-28(14-17)20(30)15-5-9-27(13-15)18-3-7-22-8-4-18/h3-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,1-2H3,(H,25,29)
InChIKeyVFTGQILZTCVNGS-UHFFFAOYSA-N
XLogP0.79
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone
CID 118119706

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 166400825) is 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NC2CCN(C(=O)C3CCN(c4ccncc4)C3)C2)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is VFTGQILZTCVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-26(2)21-23-11-16(12-24-21)19(29)25-17-6-10-28(14-17)20(30)15-5-9-27(13-15)18-3-7-22-8-4-18/h3-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166400825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).