1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea

C19H19Cl2N5O — CID 5328995

IUPAC1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2N5O/c1-19(2,3)26-18(27)25-17-11(16-12(20)5-4-6-13(16)21)7-10-9-23-15(22)8-14(10)24-17/h4-9H,1-3H3,(H2,22,23)(H2,24,25,26,27)
InChIKeyTZTRVJQYPIHZBA-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.11
Rot. Bonds2

About 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea

1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea (PubChem CID 5328995) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea
PubChem CID5328995
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2N5O/c1-19(2,3)26-18(27)25-17-11(16-12(20)5-4-6-13(16)21)7-10-9-23-15(22)8-14(10)24-17/h4-9H,1-3H3,(H2,22,23)(H2,24,25,26,27)
InChIKeyTZTRVJQYPIHZBA-UHFFFAOYSA-N
XLogP5.11
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea?
The IUPAC name of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea (CID 5328995) is 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea?
The canonical SMILES for 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea is CC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea?
The InChIKey is TZTRVJQYPIHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-19(2,3)26-18(27)25-17-11(16-12(20)5-4-6-13(16)21)7-10-9-23-15(22)8-14(10)24-17/h4-9H,1-3H3,(H2,22,23)(H2,24,25,26,27).
What are the key properties of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea?
1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea has a molecular weight of 404.30 g/mol, XLogP of 5.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea is sourced from PubChem (CID 5328995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).