6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C36H41N7O3 — CID 162172495

IUPAC6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCC(N)C3)cn1.NC1CCc2cc(C(=O)Nc3cnc(C4CC4)nc3)ccc2C1
InChIInChI=1S/C18H20N4O.C18H21N3O2/c19-15-6-5-12-7-14(4-3-13(12)8-15)18(23)22-16-9-20-17(21-10-16)11-1-2-11;1-2-23-17-8-7-16(11-20-17)21-18(22)14-4-3-13-10-15(19)6-5-12(13)9-14/h3-4,7,9-11,15H,1-2,5-6,8,19H2,(H,22,23);3-4,7-9,11,15H,2,5-6,10,19H2,1H3,(H,21,22)
InChIKeyZNYYGZYANZMBQU-UHFFFAOYSA-N
MW619.77 g/mol
LogP4.97
Rot. Bonds7

About 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 162172495) has the molecular formula C36H41N7O3 and a molecular weight of 619.77 g/mol. Its IUPAC name is 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID162172495
Molecular FormulaC36H41N7O3
Molecular Weight619.77 g/mol
Exact Mass619.33
IUPAC Name6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCC(N)C3)cn1.NC1CCc2cc(C(=O)Nc3cnc(C4CC4)nc3)ccc2C1
InChIInChI=1S/C18H20N4O.C18H21N3O2/c19-15-6-5-12-7-14(4-3-13(12)8-15)18(23)22-16-9-20-17(21-10-16)11-1-2-11;1-2-23-17-8-7-16(11-20-17)21-18(22)14-4-3-13-10-15(19)6-5-12(13)9-14/h3-4,7,9-11,15H,1-2,5-6,8,19H2,(H,22,23);3-4,7-9,11,15H,2,5-6,10,19H2,1H3,(H,21,22)
InChIKeyZNYYGZYANZMBQU-UHFFFAOYSA-N
XLogP4.97
TPSA158.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.77
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 129111807
[6-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111800
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
CID 67023167
1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
CID 129111805
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 162172495) is 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)CCC(N)C3)cn1.NC1CCc2cc(C(=O)Nc3cnc(C4CC4)nc3)ccc2C1.
What is the InChIKey of 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZNYYGZYANZMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.C18H21N3O2/c19-15-6-5-12-7-14(4-3-13(12)8-15)18(23)22-16-9-20-17(21-10-16)11-1-2-11;1-2-23-17-8-7-16(11-20-17)21-18(22)14-4-3-13-10-15(19)6-5-12(13)9-14/h3-4,7,9-11,15H,1-2,5-6,8,19H2,(H,22,23);3-4,7-9,11,15H,2,5-6,10,19H2,1H3,(H,21,22).
What are the key properties of 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 619.77 g/mol, XLogP of 4.97, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyclopropylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 162172495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).