ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate

C14H17N5O3 — CID 112525138

IUPACethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)n2cc(N)c(C)n2)ccn1
InChIInChI=1S/C14H17N5O3/c1-3-22-14(21)17-7-11-6-10(4-5-16-11)13(20)19-8-12(15)9(2)18-19/h4-6,8H,3,7,15H2,1-2H3,(H,17,21)
InChIKeyMLAKQDCMHLDEMH-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.10
Rot. Bonds4

About ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate

ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112525138) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
PubChem CID112525138
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Nameethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)n2cc(N)c(C)n2)ccn1
InChIInChI=1S/C14H17N5O3/c1-3-22-14(21)17-7-11-6-10(4-5-16-11)13(20)19-8-12(15)9(2)18-19/h4-6,8H,3,7,15H2,1-2H3,(H,17,21)
InChIKeyMLAKQDCMHLDEMH-UHFFFAOYSA-N
XLogP1.10
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112531402
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112532221
ethyl N-[[4-(5-amino-2-oxo-1,3-benzoxazole-3-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525915
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530224
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate (CID 112525138) is ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)n2cc(N)c(C)n2)ccn1.
What is the InChIKey of ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is MLAKQDCMHLDEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-3-22-14(21)17-7-11-6-10(4-5-16-11)13(20)19-8-12(15)9(2)18-19/h4-6,8H,3,7,15H2,1-2H3,(H,17,21).
What are the key properties of ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112525138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).