ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate

C11H17N3O2 — CID 115268615

IUPACethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C)nc1
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)14-9-5-6-10(12-7-9)13-8(2)3/h5-8H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyXIEJEFQYCKJEOY-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.47
Rot. Bonds4

About ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate

ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate (PubChem CID 115268615) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
PubChem CID115268615
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C)nc1
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)14-9-5-6-10(12-7-9)13-8(2)3/h5-8H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyXIEJEFQYCKJEOY-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate (CID 115268615) is ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(C)C)nc1.
What is the InChIKey of ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate?
The InChIKey is XIEJEFQYCKJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-16-11(15)14-9-5-6-10(12-7-9)13-8(2)3/h5-8H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate?
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate has a molecular weight of 223.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 115268615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).