tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate

C19H27N5O3 — CID 75451047

IUPACtert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
SMILESCn1cnc2cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)cnc21
InChIInChI=1S/C19H27N5O3/c1-19(2,3)27-18(26)23-14-7-5-13(6-8-14)22-17(25)12-9-15-16(20-10-12)24(4)11-21-15/h9-11,13-14H,5-8H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZHTRIKLAJSCFNY-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate (PubChem CID 75451047) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
PubChem CID75451047
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nametert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
SMILESCn1cnc2cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)cnc21
InChIInChI=1S/C19H27N5O3/c1-19(2,3)27-18(26)23-14-7-5-13(6-8-14)22-17(25)12-9-15-16(20-10-12)24(4)11-21-15/h9-11,13-14H,5-8H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZHTRIKLAJSCFNY-UHFFFAOYSA-N
XLogP2.53
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate with MolForge

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Related Compounds

N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013002
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
CID 169248595
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263
tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 103715474
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate (CID 75451047) is tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate is Cn1cnc2cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)cnc21.
What is the InChIKey of tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate?
The InChIKey is ZHTRIKLAJSCFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-19(2,3)27-18(26)23-14-7-5-13(6-8-14)22-17(25)12-9-15-16(20-10-12)24(4)11-21-15/h9-11,13-14H,5-8H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate has a molecular weight of 373.46 g/mol, XLogP of 2.53, 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-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 75451047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).