methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate

C11H17N3O2 — CID 66286519

IUPACmethyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
SMILESCCC(CN)Nc1ccnc(C(=O)OC)c1
InChIInChI=1S/C11H17N3O2/c1-3-8(7-12)14-9-4-5-13-10(6-9)11(15)16-2/h4-6,8H,3,7,12H2,1-2H3,(H,13,14)
InChIKeySLQWAOAKGGSEKQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.02
Rot. Bonds5

About methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate

methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate (PubChem CID 66286519) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
PubChem CID66286519
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
SMILESCCC(CN)Nc1ccnc(C(=O)OC)c1
InChIInChI=1S/C11H17N3O2/c1-3-8(7-12)14-9-4-5-13-10(6-9)11(15)16-2/h4-6,8H,3,7,12H2,1-2H3,(H,13,14)
InChIKeySLQWAOAKGGSEKQ-UHFFFAOYSA-N
XLogP1.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 106282841
methyl 4-(4-ethylsulfanylbutan-2-ylamino)pyridine-2-carboxylate
CID 113268490
3-[[(2-methoxycarbonyl-4-pyridinyl)amino]methyl]pentanoic acid
CID 81065273
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 106170716
methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 66287461
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
CID 43517917

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate (CID 66286519) is methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate is CCC(CN)Nc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is SLQWAOAKGGSEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-8(7-12)14-9-4-5-13-10(6-9)11(15)16-2/h4-6,8H,3,7,12H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate?
methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 66286519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).