[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate

C17H20N4O3 — CID 175258080

IUPAC[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate
SMILESCc1cc(OC(N)=O)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1
InChIInChI=1S/C17H20N4O3/c1-9(2)21-16(22)14-7-11(8-20-15(14)18)13-5-4-12(6-10(13)3)24-17(19)23/h4-9H,1-3H3,(H2,18,20)(H2,19,23)(H,21,22)
InChIKeyDJEKFJZWMDEZTE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.23
Rot. Bonds4

About [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate

[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate (PubChem CID 175258080) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate.

Molecular Properties

Compound Name[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate
PubChem CID175258080
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate
SMILESCc1cc(OC(N)=O)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1
InChIInChI=1S/C17H20N4O3/c1-9(2)21-16(22)14-7-11(8-20-15(14)18)13-5-4-12(6-10(13)3)24-17(19)23/h4-9H,1-3H3,(H2,18,20)(H2,19,23)(H,21,22)
InChIKeyDJEKFJZWMDEZTE-UHFFFAOYSA-N
XLogP2.23
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate?
The IUPAC name of [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate (CID 175258080) is [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate.
What is the SMILES notation for [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate?
The canonical SMILES for [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate is Cc1cc(OC(N)=O)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1.
What is the InChIKey of [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate?
The InChIKey is DJEKFJZWMDEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9(2)21-16(22)14-7-11(8-20-15(14)18)13-5-4-12(6-10(13)3)24-17(19)23/h4-9H,1-3H3,(H2,18,20)(H2,19,23)(H,21,22).
What are the key properties of [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate?
[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate has a molecular weight of 328.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate is sourced from PubChem (CID 175258080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).