tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid

C19H26N4O2 — CID 155099140

IUPACtert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid
SMILESCC(CNc1ccc(-c2cccnc2)cn1)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C19H26N4O2/c1-14(13-23(18(24)25)19(2,3)4)10-21-17-8-7-16(12-22-17)15-6-5-9-20-11-15/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22)(H,24,25)
InChIKeyGOHHIXCTCYCWDF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid

tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid (PubChem CID 155099140) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid
PubChem CID155099140
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid
SMILESCC(CNc1ccc(-c2cccnc2)cn1)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C19H26N4O2/c1-14(13-23(18(24)25)19(2,3)4)10-21-17-8-7-16(12-22-17)15-6-5-9-20-11-15/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22)(H,24,25)
InChIKeyGOHHIXCTCYCWDF-UHFFFAOYSA-N
XLogP3.97
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid with MolForge

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Related Compounds

[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid
CID 155099118
[(2S)-2-amino-3-pyridin-3-ylpropyl]-tert-butylcarbamic acid
CID 69010862
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
CID 70935310
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975203
2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide
CID 143651838
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
CID 118348376

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid?
The IUPAC name of tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid (CID 155099140) is tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid is CC(CNc1ccc(-c2cccnc2)cn1)CN(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid?
The InChIKey is GOHHIXCTCYCWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(13-23(18(24)25)19(2,3)4)10-21-17-8-7-16(12-22-17)15-6-5-9-20-11-15/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22)(H,24,25).
What are the key properties of tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid?
tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid has a molecular weight of 342.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid is sourced from PubChem (CID 155099140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).