(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide

C21H25N7O — CID 129251078

IUPAC(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESC[C@@H]1CNC[C@](NC(=O)[C@@H](N)Cc2cccnc2)(c2ccnc3nccnc23)C1
InChIInChI=1S/C21H25N7O/c1-14-10-21(13-24-11-14,16-4-6-26-19-18(16)25-7-8-27-19)28-20(29)17(22)9-15-3-2-5-23-12-15/h2-8,12,14,17,24H,9-11,13,22H2,1H3,(H,28,29)/t14-,17-,21-/m0/s1
InChIKeyRVMWDDUTMAFGPI-LFRPXUGBSA-N
MW391.48 g/mol
LogP0.93
Rot. Bonds5

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

(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide (PubChem CID 129251078) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide
PubChem CID129251078
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESC[C@@H]1CNC[C@](NC(=O)[C@@H](N)Cc2cccnc2)(c2ccnc3nccnc23)C1
InChIInChI=1S/C21H25N7O/c1-14-10-21(13-24-11-14,16-4-6-26-19-18(16)25-7-8-27-19)28-20(29)17(22)9-15-3-2-5-23-12-15/h2-8,12,14,17,24H,9-11,13,22H2,1H3,(H,28,29)/t14-,17-,21-/m0/s1
InChIKeyRVMWDDUTMAFGPI-LFRPXUGBSA-N
XLogP0.93
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
CID 129250826
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
tert-butyl N-[[3-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
CID 155247579
tert-butyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 155247565
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
1-piperidin-3-yl-2-pyridin-3-ylethanamine
CID 82396184
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
CID 18727468
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
CID 143418820
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide (CID 129251078) is (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide is C[C@@H]1CNC[C@](NC(=O)[C@@H](N)Cc2cccnc2)(c2ccnc3nccnc23)C1.
What is the InChIKey of (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is RVMWDDUTMAFGPI-LFRPXUGBSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-10-21(13-24-11-14,16-4-6-26-19-18(16)25-7-8-27-19)28-20(29)17(22)9-15-3-2-5-23-12-15/h2-8,12,14,17,24H,9-11,13,22H2,1H3,(H,28,29)/t14-,17-,21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide?
(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 391.48 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 129251078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).