N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide

C16H21N5O — CID 129329726

IUPACN,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2c2ncccn2)n1C
InChIInChI=1S/C16H21N5O/c1-17-15(22)14-8-7-12(20(14)2)13-6-3-4-11-21(13)16-18-9-5-10-19-16/h5,7-10,13H,3-4,6,11H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyGIQFYAHCSDIFAX-ZDUSSCGKSA-N
MW299.38 g/mol
LogP1.91
Rot. Bonds3

About N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide

N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide (PubChem CID 129329726) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide
PubChem CID129329726
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2c2ncccn2)n1C
InChIInChI=1S/C16H21N5O/c1-17-15(22)14-8-7-12(20(14)2)13-6-3-4-11-21(13)16-18-9-5-10-19-16/h5,7-10,13H,3-4,6,11H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyGIQFYAHCSDIFAX-ZDUSSCGKSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-5-[(2S)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]pyrrole-2-carboxamide
CID 129336048
5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129332120
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337672
5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007668
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129333080
5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343540
5-[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342544
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276
5-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129333113

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide (CID 129329726) is N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide is CNC(=O)c1ccc([C@@H]2CCCCN2c2ncccn2)n1C.
What is the InChIKey of N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide?
The InChIKey is GIQFYAHCSDIFAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-15(22)14-8-7-12(20(14)2)13-6-3-4-11-21(13)16-18-9-5-10-19-16/h5,7-10,13H,3-4,6,11H2,1-2H3,(H,17,22)/t13-/m0/s1.
What are the key properties of N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide?
N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 129329726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).