3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide

C19H27N5O — CID 129250826

IUPAC3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
SMILESC[C@@H]1CNC[C@](NC(=O)CC(C)(C)C)(c2ccnc3nccnc23)C1
InChIInChI=1S/C19H27N5O/c1-13-9-19(12-20-11-13,24-15(25)10-18(2,3)4)14-5-6-22-17-16(14)21-7-8-23-17/h5-8,13,20H,9-12H2,1-4H3,(H,24,25)/t13-,19-/m0/s1
InChIKeyJMDLPBGMQTYFBI-DJJJIMSYSA-N
MW341.46 g/mol
LogP2.40
Rot. Bonds3

About 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide

3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide (PubChem CID 129250826) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
PubChem CID129250826
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
SMILESC[C@@H]1CNC[C@](NC(=O)CC(C)(C)C)(c2ccnc3nccnc23)C1
InChIInChI=1S/C19H27N5O/c1-13-9-19(12-20-11-13,24-15(25)10-18(2,3)4)14-5-6-22-17-16(14)21-7-8-23-17/h5-8,13,20H,9-12H2,1-4H3,(H,24,25)/t13-,19-/m0/s1
InChIKeyJMDLPBGMQTYFBI-DJJJIMSYSA-N
XLogP2.40
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide with MolForge

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Related Compounds

N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129250924
(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 129251078
2-(1-methylpyrrolidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129251043
(2S)-2-hydroxy-3-methyl-N-[(3S,5R)-3-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-yl]butanamide;hydrochloride
CID 129251260
N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide
CID 129251061
2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129251147
N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
CID 129251140
(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
CID 129251128
2-(1-methylpiperidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129251185
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082
N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129251076
(3R)-1-methyl-3-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]pyrrolidin-2-one
CID 129251039

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide (CID 129250826) is 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide is C[C@@H]1CNC[C@](NC(=O)CC(C)(C)C)(c2ccnc3nccnc23)C1.
What is the InChIKey of 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide?
The InChIKey is JMDLPBGMQTYFBI-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-9-19(12-20-11-13,24-15(25)10-18(2,3)4)14-5-6-22-17-16(14)21-7-8-23-17/h5-8,13,20H,9-12H2,1-4H3,(H,24,25)/t13-,19-/m0/s1.
What are the key properties of 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide?
3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide has a molecular weight of 341.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide is sourced from PubChem (CID 129250826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).