ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate

C16H20N4O3 — CID 110178331

IUPACethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)nc1N
InChIInChI=1S/C16H20N4O3/c1-3-23-16(21)19-13-8-9-14(20-15(13)17)18-10-11-4-6-12(22-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,19,21)(H3,17,18,20)
InChIKeySWZATAOGLHBHPO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.85
Rot. Bonds6

About ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 110178331) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID110178331
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)nc1N
InChIInChI=1S/C16H20N4O3/c1-3-23-16(21)19-13-8-9-14(20-15(13)17)18-10-11-4-6-12(22-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,19,21)(H3,17,18,20)
InChIKeySWZATAOGLHBHPO-UHFFFAOYSA-N
XLogP2.85
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate (CID 110178331) is ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is SWZATAOGLHBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-23-16(21)19-13-8-9-14(20-15(13)17)18-10-11-4-6-12(22-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,19,21)(H3,17,18,20).
What are the key properties of ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110178331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).