methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate

C11H15N3O2 — CID 97181424

IUPACmethyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate
SMILESCOC(=O)N(CC1CC1)c1cccnc1N
InChIInChI=1S/C11H15N3O2/c1-16-11(15)14(7-8-4-5-8)9-3-2-6-13-10(9)12/h2-3,6,8H,4-5,7H2,1H3,(H2,12,13)
InChIKeySEZGGDRYXUAKGR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds3

About methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate

methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate (PubChem CID 97181424) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate
PubChem CID97181424
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate
SMILESCOC(=O)N(CC1CC1)c1cccnc1N
InChIInChI=1S/C11H15N3O2/c1-16-11(15)14(7-8-4-5-8)9-3-2-6-13-10(9)12/h2-3,6,8H,4-5,7H2,1H3,(H2,12,13)
InChIKeySEZGGDRYXUAKGR-UHFFFAOYSA-N
XLogP1.65
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-1-(2-amino-3-pyridinyl)-1-methylurea
CID 3330766
2-[(2-amino-2-oxoethyl)-(2-amino-3-pyridinyl)amino]acetamide
CID 104540322
methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate
CID 114198493
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 145497572
2-[(2-amino-3-pyridinyl)-cyclopropylamino]ethanol
CID 104540155
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid
CID 114991937

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate?
The IUPAC name of methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate (CID 97181424) is methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate?
The canonical SMILES for methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate is COC(=O)N(CC1CC1)c1cccnc1N.
What is the InChIKey of methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate?
The InChIKey is SEZGGDRYXUAKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11(15)14(7-8-4-5-8)9-3-2-6-13-10(9)12/h2-3,6,8H,4-5,7H2,1H3,(H2,12,13).
What are the key properties of methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate?
methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-3-pyridinyl)-N-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 97181424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).