tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate

C15H19N5O3 — CID 154765834

IUPACtert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate
SMILESCn1ccc(C(=O)Nc2ccnc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)18-12-9-10(5-7-16-12)17-13(21)11-6-8-20(4)19-11/h5-9H,1-4H3,(H2,16,17,18,21,22)
InChIKeyAAJAUCBQZUBBLN-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.41
Rot. Bonds3

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

tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate (PubChem CID 154765834) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate
PubChem CID154765834
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Nametert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate
SMILESCn1ccc(C(=O)Nc2ccnc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)18-12-9-10(5-7-16-12)17-13(21)11-6-8-20(4)19-11/h5-9H,1-4H3,(H2,16,17,18,21,22)
InChIKeyAAJAUCBQZUBBLN-UHFFFAOYSA-N
XLogP2.41
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 102674262
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-[4-(4-nitroanilino)-2-pyridinyl]carbamate
CID 157043927
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
CID 103123881
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate (CID 154765834) is tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate is Cn1ccc(C(=O)Nc2ccnc(NC(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate?
The InChIKey is AAJAUCBQZUBBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)18-12-9-10(5-7-16-12)17-13(21)11-6-8-20(4)19-11/h5-9H,1-4H3,(H2,16,17,18,21,22).
What are the key properties of tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate has a molecular weight of 317.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 154765834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).