[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C18H19ClN4O3 — CID 129111825

IUPAC[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2cc(NC(=O)NCc3ccc(Cl)cn3)ccc2C1
InChIInChI=1S/C18H19ClN4O3/c19-13-3-6-16(20-9-13)10-21-17(24)22-14-4-1-12-8-15(23-18(25)26)5-2-11(12)7-14/h1,3-4,6-7,9,15,23H,2,5,8,10H2,(H,25,26)(H2,21,22,24)
InChIKeyWCXJCRJETCTHDW-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.18
Rot. Bonds4

About [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 129111825) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID129111825
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2cc(NC(=O)NCc3ccc(Cl)cn3)ccc2C1
InChIInChI=1S/C18H19ClN4O3/c19-13-3-6-16(20-9-13)10-21-17(24)22-14-4-1-12-8-15(23-18(25)26)5-2-11(12)7-14/h1,3-4,6-7,9,15,23H,2,5,8,10H2,(H,25,26)(H2,21,22,24)
InChIKeyWCXJCRJETCTHDW-UHFFFAOYSA-N
XLogP3.18
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 129111825) is [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)NC1CCc2cc(NC(=O)NCc3ccc(Cl)cn3)ccc2C1.
What is the InChIKey of [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is WCXJCRJETCTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-13-3-6-16(20-9-13)10-21-17(24)22-14-4-1-12-8-15(23-18(25)26)5-2-11(12)7-14/h1,3-4,6-7,9,15,23H,2,5,8,10H2,(H,25,26)(H2,21,22,24).
What are the key properties of [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 374.83 g/mol, XLogP of 3.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 129111825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).