methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate

C14H18N4O3 — CID 126841562

IUPACmethyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)Nc1cnn2ccccc12)C(C)C
InChIInChI=1S/C14H18N4O3/c1-9(2)12(17-14(20)21-3)13(19)16-10-8-15-18-7-5-4-6-11(10)18/h4-9,12H,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyXSGUDECUPVBYKH-LBPRGKRZSA-N
MW290.32 g/mol
LogP1.65
Rot. Bonds4

About methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate (PubChem CID 126841562) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
PubChem CID126841562
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)Nc1cnn2ccccc12)C(C)C
InChIInChI=1S/C14H18N4O3/c1-9(2)12(17-14(20)21-3)13(19)16-10-8-15-18-7-5-4-6-11(10)18/h4-9,12H,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyXSGUDECUPVBYKH-LBPRGKRZSA-N
XLogP1.65
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate with MolForge

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118082
[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
CID 156887174
methyl N-[(2S)-3-methyl-1-oxo-1-(pyridazin-4-ylamino)butan-2-yl]carbamate
CID 126828027
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
N-[2-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120132
N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122641
methyl N-[2-(methoxycarbonylamino)-3-methylbutanoyl]carbamate
CID 141273313
1-(difluoromethyl)-N-pyrazolo[1,5-a]pyridin-3-ylcyclopentane-1-carboxamide
CID 126842087
N-pyrazolo[1,5-a]pyridin-3-yl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126841557
2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 90538425
N-(4-hydroxypentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113384187
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate (CID 126841562) is methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)Nc1cnn2ccccc12)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?
The InChIKey is XSGUDECUPVBYKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)12(17-14(20)21-3)13(19)16-10-8-15-18-7-5-4-6-11(10)18/h4-9,12H,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate has a molecular weight of 290.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 126841562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).