ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate

C15H27N5O3 — CID 10426479

IUPACethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate
SMILESCCCCC(O)C(C)Nc1cc(NC(=O)OCC)nc(N)c1N
InChIInChI=1S/C15H27N5O3/c1-4-6-7-11(21)9(3)18-10-8-12(19-14(17)13(10)16)20-15(22)23-5-2/h8-9,11,21H,4-7,16H2,1-3H3,(H4,17,18,19,20,22)
InChIKeyZCFLBEDPPVQBNA-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.17
Rot. Bonds8

About ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate

ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate (PubChem CID 10426479) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate
PubChem CID10426479
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Nameethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate
SMILESCCCCC(O)C(C)Nc1cc(NC(=O)OCC)nc(N)c1N
InChIInChI=1S/C15H27N5O3/c1-4-6-7-11(21)9(3)18-10-8-12(19-14(17)13(10)16)20-15(22)23-5-2/h8-9,11,21H,4-7,16H2,1-3H3,(H4,17,18,19,20,22)
InChIKeyZCFLBEDPPVQBNA-UHFFFAOYSA-N
XLogP2.17
TPSA135.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate (CID 10426479) is ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate is CCCCC(O)C(C)Nc1cc(NC(=O)OCC)nc(N)c1N.
What is the InChIKey of ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate?
The InChIKey is ZCFLBEDPPVQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-4-6-7-11(21)9(3)18-10-8-12(19-14(17)13(10)16)20-15(22)23-5-2/h8-9,11,21H,4-7,16H2,1-3H3,(H4,17,18,19,20,22).
What are the key properties of ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate?
ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5,6-diamino-4-(3-hydroxyheptan-2-ylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 10426479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).