benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate

C20H21N5O3 — CID 126671430

IUPACbenzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate
SMILESC[C@H](NC(=O)c1cc(-c2cnn(C)c2)cnc1N)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21N5O3/c1-13(20(27)28-12-14-6-4-3-5-7-14)24-19(26)17-8-15(9-22-18(17)21)16-10-23-25(2)11-16/h3-11,13H,12H2,1-2H3,(H2,21,22)(H,24,26)/t13-/m0/s1
InChIKeyHOYOQDISYDGWRO-ZDUSSCGKSA-N
MW379.42 g/mol
LogP1.93
Rot. Bonds6

About benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate

benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate (PubChem CID 126671430) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate
PubChem CID126671430
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Namebenzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate
SMILESC[C@H](NC(=O)c1cc(-c2cnn(C)c2)cnc1N)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21N5O3/c1-13(20(27)28-12-14-6-4-3-5-7-14)24-19(26)17-8-15(9-22-18(17)21)16-10-23-25(2)11-16/h3-11,13H,12H2,1-2H3,(H2,21,22)(H,24,26)/t13-/m0/s1
InChIKeyHOYOQDISYDGWRO-ZDUSSCGKSA-N
XLogP1.93
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
CID 163832924
2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644590
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644043
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176
(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 126644031
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524879
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
CID 145269463
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644350

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate (CID 126671430) is benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate is C[C@H](NC(=O)c1cc(-c2cnn(C)c2)cnc1N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate?
The InChIKey is HOYOQDISYDGWRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13(20(27)28-12-14-6-4-3-5-7-14)24-19(26)17-8-15(9-22-18(17)21)16-10-23-25(2)11-16/h3-11,13H,12H2,1-2H3,(H2,21,22)(H,24,26)/t13-/m0/s1.
What are the key properties of benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate?
benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate has a molecular weight of 379.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 126671430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).