2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide

C15H25N5O2 — CID 95292844

IUPAC2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCc1cnn(C[C@H](C)NCC(=O)N[C@H]2CCCCNC2=O)c1
InChIInChI=1S/C15H25N5O2/c1-11-7-18-20(9-11)10-12(2)17-8-14(21)19-13-5-3-4-6-16-15(13)22/h7,9,12-13,17H,3-6,8,10H2,1-2H3,(H,16,22)(H,19,21)/t12-,13-/m0/s1
InChIKeyFTEFFQUBAMOBHX-STQMWFEESA-N
MW307.40 g/mol
LogP-0.05
Rot. Bonds6

About 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide

2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 95292844) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID95292844
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCc1cnn(C[C@H](C)NCC(=O)N[C@H]2CCCCNC2=O)c1
InChIInChI=1S/C15H25N5O2/c1-11-7-18-20(9-11)10-12(2)17-8-14(21)19-13-5-3-4-6-16-15(13)22/h7,9,12-13,17H,3-6,8,10H2,1-2H3,(H,16,22)(H,19,21)/t12-,13-/m0/s1
InChIKeyFTEFFQUBAMOBHX-STQMWFEESA-N
XLogP-0.05
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95757698
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 95608923
N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95334008
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95609012
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone
CID 100841147
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
N-cyclopentyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 54951287
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95311797
2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
CID 130649412
N-cycloheptyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 62573457

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 95292844) is 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide is Cc1cnn(C[C@H](C)NCC(=O)N[C@H]2CCCCNC2=O)c1.
What is the InChIKey of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is FTEFFQUBAMOBHX-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-7-18-20(9-11)10-12(2)17-8-14(21)19-13-5-3-4-6-16-15(13)22/h7,9,12-13,17H,3-6,8,10H2,1-2H3,(H,16,22)(H,19,21)/t12-,13-/m0/s1.
What are the key properties of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 95292844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).