N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide

C19H24N6O — CID 129251076

IUPACN-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CN(C)C)(c2ccc(C#N)c3ncncc23)C1
InChIInChI=1S/C19H24N6O/c1-13-6-19(11-21-8-13,24-17(26)10-25(2)3)16-5-4-14(7-20)18-15(16)9-22-12-23-18/h4-5,9,12-13,21H,6,8,10-11H2,1-3H3,(H,24,26)/t13-,19-/m0/s1
InChIKeyUKUBLQYFGIRFQE-DJJJIMSYSA-N
MW352.44 g/mol
LogP1.00
Rot. Bonds4

About N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide

N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide (PubChem CID 129251076) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
PubChem CID129251076
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CN(C)C)(c2ccc(C#N)c3ncncc23)C1
InChIInChI=1S/C19H24N6O/c1-13-6-19(11-21-8-13,24-17(26)10-25(2)3)16-5-4-14(7-20)18-15(16)9-22-12-23-18/h4-5,9,12-13,21H,6,8,10-11H2,1-3H3,(H,24,26)/t13-,19-/m0/s1
InChIKeyUKUBLQYFGIRFQE-DJJJIMSYSA-N
XLogP1.00
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129251066
(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
CID 129251128
N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
CID 129251140
benzyl N-[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamate
CID 129251178
N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129250924
3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
CID 129250826
N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide
CID 129240957
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
CID 129240771
2-(1-methylpiperidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129251185
5-[(3S,5S)-3-[3-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxopropyl]-5-methylpiperidin-1-yl]quinazoline-8-carbonitrile
CID 160536374
N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129241391
2-(1-methylpyrrolidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129251043

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide (CID 129251076) is N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide is C[C@@H]1CNC[C@](NC(=O)CN(C)C)(c2ccc(C#N)c3ncncc23)C1.
What is the InChIKey of N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is UKUBLQYFGIRFQE-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-6-19(11-21-8-13,24-17(26)10-25(2)3)16-5-4-14(7-20)18-15(16)9-22-12-23-18/h4-5,9,12-13,21H,6,8,10-11H2,1-3H3,(H,24,26)/t13-,19-/m0/s1.
What are the key properties of N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide?
N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 129251076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).