4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide

C18H21N5O2 — CID 126439136

IUPAC4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCN(C)c1cc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)ncn1
InChIInChI=1S/C18H21N5O2/c1-23(2)16-10-15(20-11-21-16)12-5-7-13(8-6-12)17(24)22-14-4-3-9-19-18(14)25/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,19,25)(H,22,24)/t14-/m0/s1
InChIKeyHCMIQSXJYLOGPK-AWEZNQCLSA-N
MW339.40 g/mol
LogP1.22
Rot. Bonds4

About 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide

4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide (PubChem CID 126439136) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
PubChem CID126439136
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCN(C)c1cc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)ncn1
InChIInChI=1S/C18H21N5O2/c1-23(2)16-10-15(20-11-21-16)12-5-7-13(8-6-12)17(24)22-14-4-3-9-19-18(14)25/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,19,25)(H,22,24)/t14-/m0/s1
InChIKeyHCMIQSXJYLOGPK-AWEZNQCLSA-N
XLogP1.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 56817220
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415
4-(3-methoxy-4-pyridinyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 163309986
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
N-[(3R)-2-oxoazepan-3-yl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99613769
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide (CID 126439136) is 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide is CN(C)c1cc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)ncn1.
What is the InChIKey of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is HCMIQSXJYLOGPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-23(2)16-10-15(20-11-21-16)12-5-7-13(8-6-12)17(24)22-14-4-3-9-19-18(14)25/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,19,25)(H,22,24)/t14-/m0/s1.
What are the key properties of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 126439136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).